SCHEMBL12008461

SCHEMBL12008461

COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.85
▸ PSMD14 O00487 1/20 0.85
▸ PLEC Q15149 1/20 0.85
▸ CTNNB1 P35222 2/20 0.81
▸ TCF4 P15884 1/20 0.81
▸ PTPN1 P18031 2/20 0.80
▸ AKR1B1 P15121 2/20 0.80
▸ KMT2A Q03164 3/20 0.80
▸ ADAMTS5 Q9UNA0 2/20 0.80
▸ APAF1 O14727 1/20 0.80
▸ PTPN2 P17706 1/20 0.72
▸ MEN1 O00255 2/20 0.69
▸ TNNI3 P19429 1/20 0.67
▸ TNNT2 P45379 1/20 0.67
▸ TNNC1 P63316 1/20 0.67
▸ MAPT P10636 1/20 0.65
▸ MAPK1 P28482 1/20 0.65

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
SCHEMBL12008743 0.95 KMT2A (0.89) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL12008460 0.93 CTNNB1 (0.78) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL12008524 0.92 CTNNB1 (0.77) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL12008813 0.91 KMT2A (0.89) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL25385999 0.90 CTNNB1 (1.00) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL12006900 0.90 CTNNB1 (1.00) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL29382147 0.90 CTNNB1 (1.00) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL29373121 0.90 CTNNB1 (1.00) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL5119884 0.89 POLB (0.76) POLBPSMD14PLECCTNNB1TCF4
SCHEMBL12008523 0.89 CTNNB1 (0.75) POLBPSMD14PLECCTNNB1TCF4

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 12 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

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

For each of this compound's patents that has machine-readable text (3 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 POLB 2397/4885PSMD14 1726/4885PLEC 1948/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885PSMD14 1902/4885PLEC 2097/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885PSMD14 1902/4885PLEC 2097/4885

“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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