SCHEMBL12008651

SCHEMBL12008651

Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCC(=O)O)C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.68
▸ MEN1 O00255 5/20 0.68
▸ POLB P06746 2/20 0.66
▸ HPGD P15428 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.66
▸ MAPT P10636 6/20 0.65
▸ ALDH1A1 P00352 5/20 0.65
▸ LMNA P02545 1/20 0.65
▸ CACNA1B Q00975 1/20 0.63
▸ APBA1 Q02410 1/20 0.63
▸ CISD1 Q9NZ45 2/20 0.61
▸ MAOA P21397 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ NCOA3 Q9Y6Q9 4/20 0.61
▸ XBP1 P17861 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ GPR35 Q9HC97 1/20 0.61
▸ RAB9A P51151 2/20 0.60
▸ NPC1 O15118 1/20 0.60

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
SCHEMBL12008652 0.91 KMT2A (0.67) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL12008634 0.90 CISD1 (0.76) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL12008653 0.89 KMT2A (0.65) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL12008670 0.89 MAPT (0.79) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14905165 0.88 CISD1 (0.79) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL12008748 0.88 CISD1 (0.79) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL12008655 0.87 KMT2A (0.63) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL12008656 0.87 KMT2A (0.63) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL12692505 0.85 KMT2A (0.92) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL12008683 0.84 CTNNB1 (0.74) KMT2AMEN1POLBNPSR1MAPT

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 4503/4885MEN1 3747/4885POLB 2397/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885POLB 2088/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885POLB 2088/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885POLB 2088/4885

“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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