SCHEMBL12008741

SCHEMBL12008741

COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1O

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.77
▸ TAS2R14 Q9NYV8 3/20 0.69
▸ CTNNB1 P35222 3/20 0.63
▸ TCF4 P15884 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ NCOA3 Q9Y6Q9 1/20 0.63
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ PAX8 Q06710 1/20 0.62
▸ FABP4 P15090 1/20 0.61
▸ PSMD14 O00487 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ CISD1 Q9NZ45 2/20 0.58
▸ MAOA P21397 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ TCF7L2 Q9NQB0 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.57
▸ DDX3X O00571 1/20 0.57

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
SCHEMBL12008449 0.93 TAS2R14 (0.76) KLKB1TAS2R14CTNNB1TCF4ALDH1A1
SCHEMBL12008544 0.90 FABP4 (0.73) KLKB1TAS2R14CTNNB1TCF4ALDH1A1
SCHEMBL12008529 0.90 KLKB1 (0.77) KLKB1TAS2R14CTNNB1TCF4ALDH1A1
SCHEMBL12008547 0.90 KLKB1 (0.69) KLKB1TAS2R14ALDH1A1MAPTNCOA3
SCHEMBL12008531 0.89 TAS2R14 (0.70) KLKB1TAS2R14CTNNB1TCF4ALDH1A1
SCHEMBL17769046 0.89 TAS2R14 (0.70) KLKB1TAS2R14CTNNB1TCF4ALDH1A1
SCHEMBL12008747 0.87 TAS2R14 (0.78) KLKB1TAS2R14CTNNB1TCF4ALDH1A1
SCHEMBL12008415 0.87 KLKB1 (1.00) KLKB1TAS2R14CTNNB1TCF4ALDH1A1
SCHEMBL12008469 0.87 CTNNB1 (0.79) KLKB1TAS2R14CTNNB1TCF4ALDH1A1
SCHEMBL12008538 0.87 KLKB1 (0.72) KLKB1TAS2R14CTNNB1TCF4ALDH1A1

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 KLKB1 4291/4885TAS2R14 4035/4885CTNNB1 1/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KLKB1 4461/4885TAS2R14 4140/4885CTNNB1 1/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KLKB1 4461/4885TAS2R14 4140/4885CTNNB1 1/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KLKB1 4461/4885TAS2R14 4140/4885CTNNB1 1/4885

“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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