SEURAT Structure Exploration Utility for RAtional Therapeutics ChemAxon US UGM– September 2009.

SEURATSEURATStructure Exploration Utility for RAtional Therapeutics

ChemAxon US UGM– September 2009

www.synapticscience.com

What is SEURAT?What is SEURAT? Product Overview Product Overview SStructure EExploration UUtility for RaRational

TTherapeutics◦ Rich Internet Application (RIA)

Optimized specifically for small molecule screening, hit-to-lead and lead optimization

Extract full discovery value from in-house and in-licensed DB’s and tools◦ Directly access existing corporate, 3rd party,

patent and lit DB’s & meta-information.◦ Open System: Incorporate 3rd & in-house

computational tools easily.◦ Perform & track SAR analyses.◦ Visual Data Mining: Create & track

hypotheses.◦ Easy for bench scientists to use.

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What is SEURAT?What is SEURAT? Who is it for, what problem does it solve?Who is it for, what problem does it solve?

chemists, biologists and preclinical scientists who struggle daily to extract full discovery value from a broad mixture of in-house and in-licensed data sources and tools. SEURAT is a drug discovery Rich Internet Application that delivers flexible knowledge capture, access, reporting and collaboration without creating a new data silo, database or data container.

Unlike general purpose data workflow and pipelining platforms SEURAT is optimized specifically for small molecule screening, hit-to-lead and lead optimization.

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A problem SEURAT can help solve?A problem SEURAT can help solve? Elevating a Hit to a LeadElevating a Hit to a Lead

Mole

cula

r pro

pert

ies

SA

R a

vaila

ble

/easy

3000 hits

10 serie

s

# a

nalo

gues

Pote

ncy

Puri

ty &

identi

ty

Follo

w o

n a

ssays

Sele

ctiv

ity

IP p

osi

tion

Toxic

ity

Overa

ll

Singletons

PassMore data requestedFail

Credit: Yvonne MartinAnd

Derek Debe


A problem SEURAT can help solve?A problem SEURAT can help solve?

Project must initiate & track…Project must initiate & track…

3000 + 20 + 1500 requests for additional testing

30,000 pieces of database information on the hits

240 individual database searches to compose, execute, evaluate and track,

60 compounds to order, track, register, and submit for testing

30,000 molecular properties to calculate or look up

A few clustering runs

40 computational toxicity predictions made

10 different computer programs used

Credit: Yvonne MartinAnd

Derek Debe

http://www.synapticscience.com/acs-09/Debe_ACS_2009.pdf


Historically diverse set of toolsHistorically diverse set of tools Few in project master the whole setFew in project master the whole set

6http://www.synapticscience.com/acs-09/Debe_ACS_2009.pdf

4 June 2009


SEURAT : A Single Integrated RIASEURAT : A Single Integrated RIAMore of the project team can masterMore of the project team can master

74 June 2009http://www.synapticscience.com/acs-09/Debe_ACS_2009.pdf


SEURATSEURATProven Product with Clear ROIProven Product with Clear ROI

Compressed Time between Data Collection, Decision, & Reporting◦ Seurat is enabling scientists to quickly and easily create decision-enabling reports from …

Discovery data. A critical feature is SEURAT’s ability to report and re-report both comprehensive and time-delineated updates.

Enhanced Decision Clarity, Transparency, and Consensus Building◦ “Seurat provides …project teams an effective environment to quickly assess the quality of multiple

compounds based on multiple parameters. … leads to more effective decision making regarding what to synthesize next, the greatest value lies in its potential to alleviate the time and resources that can be wasted “over-perfecting” a compound series.”

Increased Individual Innovation via Deriving New Insights from the Data◦ “Seurat is enabling scientists to analyze compound data in ways that have not been

possible with our legacy toolset (including SpotFire).”

Increased Organizational Innovation via Increasing the Number of Capable Users◦ “…By reducing the environment complexity, Seurat has increased the number of users that

can successfully utilize experimental data to its fullest capacity, which in turn increases the probability that new innovations and insights will be gained.”

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In the customers’ own words…

4 June 2009


Core SEURATCore SEURAT

94 June 2009


SEURATSEURATEasily build Live ReportsEasily build Live Reports

An assay value out of context looses meaning. Don’t try to coerce data into a single form

Biological Assays◦ Imprecise values shown and

can be used in calculations◦ Aggregate experiments per

compound mouse over for detail

Pharmacokinetics & Pharmacology◦ Confidence Intervals◦ Link to full report when

available

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SEURATSEURATEasily build Live ReportsEasily build Live Reports

Don’t force user to articulate thesis to start, instead let the user organically grow analysis steps as needed

Start with a simple query

Incremental complexity – add, remove data as needed in steps

Record script for replay – save it for later, email to others

Real-time data acquisition – always see the latest results

114 June 2009


SEURATSEURAT Make new discoveries about your data – SARMake new discoveries about your data – SAR Alternate but linked views of

results:◦ Tabular and most familiar◦ Matrix view with zooming and

cell coloring for emphasis of “hot spots”

Can still organically grow the tabular view to better inform the matrix view

124 June 2009


SEURATSEURAT Easy to adopt promoting greater collaborationEasy to adopt promoting greater collaboration

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Crystal Structures

Real Time Interactive Property Prediction

Kinome browser

4 June 2009


SEURATSEURAT Easy to adopt promoting greater collaborationEasy to adopt promoting greater collaboration

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Available chemicals directory

Patent landscapebrowser

PK Reports

4 June 2009


SEURAT VisualizationSEURAT Visualization Easy to use AnalyticsEasy to use Analytics

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Scatter Plots, Heat Maps, Histograms and moreProject Health Check VisualizationDynamic data filteringVisual coloring, sizing and labelingReads SD & CSV Files

4 June 2009


Rich Internet ApplicationRich Internet Application SEURAT reports in Sharepoint™ / Website SEURAT reports in Sharepoint™ / Website

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· Publish SEURAT results to share on the web· Email links to others, or add links to your own web pages

· View SEURAT results in your web browser· Use Go-Live Links to go directly to that analysis in SEURAT· Also use Go-Live links from your own web pages

Publish to Web

Go-Live Link

4 June 2009


Hosted SEURATHosted SEURAT Multi-Site CollaborationMulti-Site Collaboration

174 June 2009


Hosted SEURATHosted SEURAT CRO CollaborationCRO Collaboration

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SEURATSEURATContact usContact us

[email protected]+1 301 915 0274www.synapticscience.comRemember:

◦We offer free 30 day evaluations of the SEURAT platform.

◦We can get SEURAT setup to access your existing database(s) at no additional charge and without the need to migrate any data.

194 June 2009

SEURAT Structure Exploration Utility for RAtional Therapeutics ChemAxon US UGM– September 2009.

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