SCHEMBL12008489

SCHEMBL12008489

COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.81
KLKB1 P03952 1/20 0.76
PDE4B Q07343 1/20 0.75
CTNNB1 P35222 2/20 0.74
TCF4 P15884 1/20 0.74
ALDH1A1 P00352 3/20 0.72
MAPT P10636 3/20 0.72
NCOA3 Q9Y6Q9 2/20 0.72
KMT2A Q03164 6/20 0.71
MEN1 O00255 5/20 0.71
POLB P06746 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
MAPK1 P28482 2/20 0.71
TAS2R14 Q9NYV8 3/20 0.69
APAF1 O14727 1/20 0.65
ADAMTS5 Q9UNA0 1/20 0.65
DDX3X O00571 1/20 0.64
CISD1 Q9NZ45 2/20 0.64
MAOA P21397 1/20 0.64
MITF O75030 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12008732 0.94 CTNNB1 (0.85) FABP4KLKB1PDE4BCTNNB1TCF4
SCHEMBL12006921 0.92 CTNNB1 (0.88) FABP4KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL24220168 0.90 FABP4 (1.00) FABP4KLKB1PDE4BCTNNB1TCF4
SCHEMBL12008425 0.90 FABP4 (1.00) FABP4KLKB1PDE4BCTNNB1TCF4
SCHEMBL29374482 0.89 PDE4B (0.78) FABP4PDE4BCTNNB1ALDH1A1MAPT
SCHEMBL9393527 0.89 PDE4B (0.78) FABP4PDE4BCTNNB1ALDH1A1MAPT
SCHEMBL2370857 0.89 PDE4B (0.78) FABP4PDE4BCTNNB1ALDH1A1MAPT
SCHEMBL12008449 0.88 TAS2R14 (0.76) FABP4KLKB1CTNNB1TCF4ALDH1A1
SCHEMBL12008747 0.87 TAS2R14 (0.78) KLKB1CTNNB1TCF4ALDH1A1MAPT
SCHEMBL12008742 0.87 FABP4 (0.80) FABP4KLKB1CTNNB1TCF4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 US disclosed
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 US disclosed
US-9433611-B2 Oxazole and thiazole compounds as β-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-09-06 US disclosed
US-9433611-B2 Oxazole and thiazole compounds as β-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-09-06 US disclosed
US-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 US disclosed
US-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 US disclosed
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2013-05-02 US disclosed
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2013-05-02 US disclosed
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 US disclosed
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 US disclosed
US-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 US disclosed
US-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 US disclosed
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof US ARMY, SECRETARY OF THE ARMY 2009-09-10 US disclosed
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof US ARMY, SECRETARY OF THE ARMY 2009-09-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FABP4 1871/4885KLKB1 4291/4885PDE4B 3318/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FABP4 1744/4885KLKB1 4461/4885PDE4B 3062/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FABP4 1744/4885KLKB1 4461/4885PDE4B 3062/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FABP4 1744/4885KLKB1 4461/4885PDE4B 3062/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.