SCHEMBL12008422

SCHEMBL12008422

O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 13/20 1.00
▸ KMT2A Q03164 13/20 1.00
▸ PTPN12 Q05209 8/20 1.00
▸ GPR35 Q9HC97 8/20 1.00
▸ PTPN7 P35236 6/20 1.00
▸ PTPN22 Q9Y2R2 6/20 1.00
▸ TDP1 Q9NUW8 5/20 0.89
▸ POLB P06746 3/20 0.89
▸ MAPT P10636 8/20 0.83
▸ ALDH1A1 P00352 4/20 0.83
▸ SMN1; SMN2 Q16637 4/20 0.83
▸ LMNA P02545 3/20 0.83
▸ MAPK1 P28482 3/20 0.83
▸ HTT P42858 3/20 0.83
▸ L3MBTL1 Q9Y468 2/20 0.83
▸ GAA P10253 1/20 0.83
▸ ATM Q13315 1/20 0.83
▸ GPR55 Q9Y2T6 4/20 0.81
▸ RAB9A P51151 1/20 0.81
▸ PLA2G1B P04054 1/20 0.77

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
SCHEMBL12008423 0.94 KMT2A (1.00) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008602 0.91 KMT2A (0.84) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008794 0.91 KMT2A (0.84) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008617 0.90 CACNA1B (0.86) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008784 0.90 TDP1 (1.00) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008764 0.89 KMT2A (1.00) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008760 0.89 KMT2A (0.90) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008580 0.88 PTPN12 (1.00) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008795 0.88 MEN1 (0.78) MEN1KMT2APTPN12GPR35PTPN7
SCHEMBL12008882 0.87 KMT2A (1.00) MEN1KMT2APTPN12GPR35PTPN7

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 MEN1 3747/4885KMT2A 4503/4885PTPN12 226/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885PTPN12 457/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885PTPN12 457/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885PTPN12 457/4885

“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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