SCHEMBL12008552

SCHEMBL12008552

CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 0.87
▸ TCF4 P15884 1/20 0.87
▸ FABP4 P15090 1/20 0.72
▸ MAPT P10636 4/20 0.68
▸ POLB P06746 3/20 0.67
▸ PSMD14 O00487 3/20 0.67
▸ KLKB1 P03952 1/20 0.67
▸ PLEC Q15149 1/20 0.67
▸ CTDSP1 Q9GZU7 1/20 0.67
▸ KMT2A Q03164 5/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ AKR1B1 P15121 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ TNNI3 P19429 1/20 0.64
▸ TNNT2 P45379 1/20 0.64
▸ TNNC1 P63316 1/20 0.64
▸ MITF O75030 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ NCOA3 Q9Y6Q9 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
SCHEMBL13446890 0.96 CTNNB1 (0.87) CTNNB1TCF4FABP4MAPTPOLB
SCHEMBL12008511 0.95 CTNNB1 (0.78) CTNNB1TCF4FABP4MAPTPOLB
SCHEMBL12008742 0.94 FABP4 (0.80) CTNNB1TCF4FABP4MAPTPOLB
SCHEMBL12006900 0.93 CTNNB1 (1.00) CTNNB1TCF4MAPTPOLBPSMD14
SCHEMBL29373121 0.93 CTNNB1 (1.00) CTNNB1TCF4MAPTPOLBPSMD14
SCHEMBL25385999 0.93 CTNNB1 (1.00) CTNNB1TCF4MAPTPOLBPSMD14
SCHEMBL29382147 0.93 CTNNB1 (1.00) CTNNB1TCF4MAPTPOLBPSMD14
SCHEMBL12008512 0.93 CTNNB1 (0.84) CTNNB1TCF4FABP4MAPTPOLB
SCHEMBL12008462 0.93 CTNNB1 (0.87) CTNNB1TCF4MAPTPOLBPSMD14
SCHEMBL12008513 0.91 CTNNB1 (0.81) CTNNB1TCF4FABP4MAPTPOLB

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 CTNNB1 1/4885TCF4 22/4885FABP4 1871/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 CTNNB1 1/4885TCF4 24/4885FABP4 1744/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CTNNB1 1/4885TCF4 24/4885FABP4 1744/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CTNNB1 1/4885TCF4 24/4885FABP4 1744/4885

“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.

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