SCHEMBL12009118

SCHEMBL12009118

COC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)N(c4ccccc4)C3=O)c2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.63
▸ CTNNB1 P35222 1/20 0.63
▸ HDAC6 Q9UBN7 1/20 0.63
▸ POLB P06746 5/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KMT2A Q03164 8/20 0.53
▸ RAB9A P51151 8/20 0.53
▸ MEN1 O00255 7/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ MAPT P10636 7/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 10/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52

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
SCHEMBL18545470 1.00 TCF4 (0.63) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL12009039 0.91 POLB (0.65) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL12009071 0.90 TCF4 (0.61) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL12009043 0.90 TCF4 (0.68) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL18545596 0.90 TCF4 (0.68) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL18545617 0.90 TCF4 (0.60) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL12009095 0.90 TCF4 (0.60) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL12009106 0.89 TCF4 (0.57) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL13464569 0.88 POLB (0.60) TCF4CTNNB1HDAC6POLBNPSR1
SCHEMBL12009114 0.87 TCF4 (0.79) TCF4CTNNB1HDAC6POLBNPSR1

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 TCF4 22/4885CTNNB1 1/4885HDAC6 217/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 TCF4 24/4885CTNNB1 1/4885HDAC6 74/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TCF4 24/4885CTNNB1 1/4885HDAC6 74/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TCF4 24/4885CTNNB1 1/4885HDAC6 74/4885

“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.

Send feedback