SCHEMBL12008556

SCHEMBL12008556

O=C(O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 3/20 0.74
PTPN12 Q05209 3/20 0.74
GPR35 Q9HC97 3/20 0.74
PTPN22 Q9Y2R2 3/20 0.74
PSMD14 O00487 1/20 0.74
MMP2 P08253 1/20 0.74
GPR55 Q9Y2T6 1/20 0.74
MAPK1 P28482 1/20 0.72
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
CTDSP1 Q9GZU7 2/20 0.68
POLB P06746 2/20 0.68
BLM P54132 1/20 0.68
DDX3X O00571 2/20 0.66
FFAR1 O14842 3/20 0.66
CTNNB1 P35222 2/20 0.64
TCF4 P15884 1/20 0.64
MAPT P10636 6/20 0.64
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL6886476 0.94 MAPK1 (0.75) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL6886480 0.94 MAPK1 (0.75) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL12008759 0.88 MAPK1 (0.66) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL30034885 0.88 PTPN7 (0.66) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL1904246 0.87 MAPK1 (0.71) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL1904243 0.87 MAPK1 (0.71) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL1904245 0.87 MAPK1 (0.71) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL12008619 0.86 PTPN7 (1.00) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL12008783 0.84 DDX3X (0.91) PTPN7PTPN12GPR35PTPN22PSMD14
SCHEMBL12008618 0.83 PTPN12 (1.00) PTPN7PTPN12GPR35PTPN22PSMD14

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 PTPN7 115/4885PTPN12 226/4885GPR35 302/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 PTPN7 190/4885PTPN12 457/4885GPR35 299/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PTPN7 190/4885PTPN12 457/4885GPR35 299/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PTPN7 190/4885PTPN12 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.