SCHEMBL12008725

SCHEMBL12008725

COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(C(=O)O)CC3)C2=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.69
▸ MAPT P10636 3/20 0.69
▸ NCOA3 Q9Y6Q9 1/20 0.69
▸ MAPK1 P28482 1/20 0.65
▸ NPC1 O15118 2/20 0.63
▸ LMNA P02545 2/20 0.62
▸ KMT2A Q03164 4/20 0.60
▸ PSMD14 O00487 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ CACNA1B Q00975 1/20 0.59
▸ APBA1 Q02410 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ MEN1 O00255 2/20 0.57
▸ PAX8 Q06710 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
SCHEMBL12008718 0.95 MEN1 (0.65) ALDH1A1MAPTNCOA3MAPK1NPC1
SCHEMBL12008477 0.90 NPC1 (0.79) MAPTNPC1KMT2ACACNA1BAPBA1
SCHEMBL12008746 0.88 ALDH1A1 (0.62) ALDH1A1MAPTLMNAKMT2APSMD14
SCHEMBL18539159 0.85 CA9 (0.57) ALDH1A1MAPTNCOA3MAPK1NPC1
SCHEMBL12008478 0.85 MEN1 (0.81) MAPTNPC1KMT2ACACNA1BAPBA1
SCHEMBL12008723 0.83 MAPT (0.66) ALDH1A1MAPTNCOA3MAPK1NPC1
SCHEMBL12008758 0.82 MAPT (1.00) ALDH1A1MAPTNCOA3NPC1KMT2A
SCHEMBL18539147 0.80 NPC1 (0.66) ALDH1A1MAPTNPC1KMT2ACACNA1B
SCHEMBL19736098 0.79 MAPT (0.81) ALDH1A1MAPTNCOA3MAPK1NPC1
SCHEMBL29408646 0.79 MAPT (0.81) ALDH1A1MAPTNCOA3MAPK1NPC1

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 ALDH1A1 935/4885MAPT 2143/4885NCOA3 547/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885MAPT 1929/4885NCOA3 300/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885MAPT 1929/4885NCOA3 300/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885MAPT 1929/4885NCOA3 300/4885

“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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