SCHEMBL12008784

SCHEMBL12008784

CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 1.00
▸ PTPN12 Q05209 6/20 1.00
▸ GPR35 Q9HC97 6/20 1.00
▸ PTPN7 P35236 4/20 1.00
▸ PTPN22 Q9Y2R2 3/20 1.00
▸ GPR55 Q9Y2T6 2/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ KMT2A Q03164 11/20 0.90
▸ MEN1 O00255 10/20 0.90
▸ SAE1 Q9UBE0 2/20 0.90
▸ UBA2 Q9UBT2 2/20 0.90
▸ PSMD14 O00487 2/20 0.90
▸ BLM P54132 1/20 0.90
▸ POLB P06746 5/20 0.74
▸ NPC1 O15118 1/20 0.72
▸ CACNA1B Q00975 2/20 0.72
▸ APBA1 Q02410 2/20 0.72
▸ CTDSP1 Q9GZU7 3/20 0.71
▸ MMP2 P08253 1/20 0.70
▸ MAPT P10636 4/20 0.69

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
SCHEMBL17319544 0.94 KMT2A (1.00) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL12008585 0.94 KMT2A (1.00) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL12008617 0.91 CACNA1B (0.86) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL31376970 0.91 TDP1 (0.83) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL12008794 0.91 KMT2A (0.84) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL12008422 0.90 MEN1 (1.00) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL12008774 0.90 KMT2A (0.90) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL12008602 0.89 KMT2A (0.84) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL12008760 0.88 KMT2A (0.90) TDP1PTPN12GPR35PTPN7PTPN22
SCHEMBL29351320 0.86 GPR35 (0.76) TDP1PTPN12GPR35PTPN7PTPN22

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 TDP1 4392/4885PTPN12 226/4885GPR35 302/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 TDP1 4424/4885PTPN12 457/4885GPR35 299/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TDP1 4424/4885PTPN12 457/4885GPR35 299/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TDP1 4424/4885PTPN12 457/4885GPR35 299/4885

“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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