SCHEMBL12008718

SCHEMBL12008718

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

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ MAPT P10636 6/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ NCOA3 Q9Y6Q9 1/20 0.64
▸ MAPK1 P28482 2/20 0.63
▸ MCHR1 Q99705 1/20 0.61
▸ XBP1 P17861 1/20 0.59
▸ NPC1 O15118 2/20 0.56
▸ POLB P06746 1/20 0.55
▸ MITF O75030 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ LMNA P02545 1/20 0.55

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
SCHEMBL12008725 0.95 ALDH1A1 (0.69) MEN1KMT2AMAPTALDH1A1NCOA3
SCHEMBL18539159 0.91 CA9 (0.57) MEN1KMT2AMAPTALDH1A1NCOA3
SCHEMBL12008478 0.90 MEN1 (0.81) MEN1KMT2AMAPTNPC1POLB
SCHEMBL12008477 0.84 NPC1 (0.79) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12008479 0.84 PKM (0.60) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL12008788 0.83 MAPT (0.87) MEN1KMT2AMAPTALDH1A1NCOA3
SCHEMBL12008746 0.83 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL12008758 0.79 MAPT (1.00) MEN1KMT2AMAPTALDH1A1NCOA3
SCHEMBL12008723 0.78 MAPT (0.66) MEN1KMT2AMAPTALDH1A1NCOA3
SCHEMBL19736098 0.76 MAPT (0.81) MEN1KMT2AMAPTALDH1A1NCOA3

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-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 (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 MEN1 3747/4885KMT2A 4503/4885MAPT 2143/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885MAPT 1929/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885MAPT 1929/4885

“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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