SCHEMBL12008617

SCHEMBL12008617

COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.86
▸ APBA1 Q02410 3/20 0.86
▸ PTPN12 Q05209 7/20 0.83
▸ GPR35 Q9HC97 5/20 0.83
▸ PTPN7 P35236 5/20 0.83
▸ TDP1 Q9NUW8 5/20 0.83
▸ PTPN22 Q9Y2R2 4/20 0.83
▸ GPR55 Q9Y2T6 2/20 0.83
▸ RAB9A P51151 1/20 0.83
▸ KMT2A Q03164 11/20 0.81
▸ MEN1 O00255 10/20 0.81
▸ POLB P06746 4/20 0.79
▸ CTDSP1 Q9GZU7 3/20 0.76
▸ SAE1 Q9UBE0 2/20 0.74
▸ UBA2 Q9UBT2 2/20 0.74
▸ PSMD14 O00487 2/20 0.74
▸ BLM P54132 1/20 0.74
▸ APAF1 O14727 1/20 0.71
▸ MAPT P10636 5/20 0.70
▸ XBP1 P17861 1/20 0.70

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
SCHEMBL12008760 0.92 KMT2A (0.90) CACNA1BAPBA1PTPN12GPR35PTPN7
SCHEMBL12008784 0.91 TDP1 (1.00) CACNA1BAPBA1PTPN12GPR35PTPN7
SCHEMBL12008794 0.91 KMT2A (0.84) CACNA1BAPBA1PTPN12GPR35PTPN7
SCHEMBL12008734 0.91 KMT2A (0.83) CACNA1BAPBA1PTPN12GPR35PTPN7
SCHEMBL12008422 0.90 MEN1 (1.00) PTPN12GPR35PTPN7TDP1PTPN22
SCHEMBL12008602 0.89 KMT2A (0.84) CACNA1BAPBA1PTPN12GPR35PTPN7
SCHEMBL12008615 0.89 KMT2A (1.00) CACNA1BAPBA1PTPN12GPR35PTPN7
SCHEMBL12008558 0.86 CACNA1B (0.73) CACNA1BAPBA1PTPN12GPR35PTPN7
SCHEMBL12008569 0.86 KMT2A (1.00) CACNA1BAPBA1PTPN12GPR35PTPN7
SCHEMBL12008616 0.86 KMT2A (0.83) CACNA1BAPBA1PTPN12GPR35PTPN7

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 CACNA1B 4171/4885APBA1 1967/4885PTPN12 226/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 CACNA1B 3671/4885APBA1 2561/4885PTPN12 457/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CACNA1B 3671/4885APBA1 2561/4885PTPN12 457/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CACNA1B 3671/4885APBA1 2561/4885PTPN12 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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