SCHEMBL12008507

SCHEMBL12008507

COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.71
▸ ADAMTS5 Q9UNA0 2/20 0.71
▸ APAF1 O14727 1/20 0.71
▸ CTNNB1 P35222 2/20 0.66
▸ PTPN1 P18031 2/20 0.66
▸ AKR1B1 P15121 1/20 0.66
▸ TCF4 P15884 1/20 0.66
▸ KLKB1 P03952 1/20 0.65
▸ MEN1 O00255 6/20 0.64
▸ POLB P06746 4/20 0.64
▸ PSMD14 O00487 1/20 0.63
▸ PLEC Q15149 1/20 0.63
▸ DDX3X O00571 1/20 0.62
▸ PTPN2 P17706 1/20 0.62
▸ NPC1 O15118 1/20 0.59
▸ FABP4 P15090 1/20 0.59
▸ DNMT1 P26358 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPT P10636 1/20 0.58

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
SCHEMBL12008523 0.95 CTNNB1 (0.75) KMT2AADAMTS5APAF1CTNNB1PTPN1
SCHEMBL12008509 0.93 KMT2A (0.72) KMT2AADAMTS5APAF1CTNNB1PTPN1
SCHEMBL6720208 0.92 AKR1B1 (0.79) KMT2AADAMTS5PTPN1AKR1B1MEN1
SCHEMBL12008743 0.89 KMT2A (0.89) KMT2AADAMTS5APAF1CTNNB1PTPN1
SCHEMBL12008525 0.88 POLB (0.70) KMT2AADAMTS5APAF1CTNNB1PTPN1
SCHEMBL12008508 0.86 KMT2A (0.78) KMT2AADAMTS5APAF1CTNNB1PTPN1
SCHEMBL12006921 0.86 CTNNB1 (0.88) KMT2AADAMTS5APAF1CTNNB1AKR1B1
SCHEMBL12008813 0.85 KMT2A (0.89) KMT2AADAMTS5APAF1CTNNB1PTPN1
SCHEMBL12008505 0.85 AKR1B1 (0.72) KMT2AADAMTS5APAF1PTPN1AKR1B1
SCHEMBL12008742 0.85 FABP4 (0.80) KMT2AADAMTS5APAF1CTNNB1PTPN1

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 KMT2A 4503/4885ADAMTS5 3112/4885APAF1 3186/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885ADAMTS5 3180/4885APAF1 2916/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885ADAMTS5 3180/4885APAF1 2916/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885ADAMTS5 3180/4885APAF1 2916/4885

“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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