SCHEMBL12009109

SCHEMBL12009109

Cc1cc(C=C2SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.70
CTNNB1 P35222 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
MDM2 Q00987 1/20 0.66
GLS O94925 1/20 0.59
NPC1 O15118 7/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
RAB9A P51151 6/20 0.56
MAPT P10636 7/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
S1PR5 Q9H228 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53

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
SCHEMBL12006922 0.93 TCF4 (0.79) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL18545525 0.93 TCF4 (0.79) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL12009114 0.93 TCF4 (0.79) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL18545612 0.91 TCF4 (0.73) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL12009073 0.91 TCF4 (0.73) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL12009066 0.90 TCF4 (0.69) TCF4CTNNB1HDAC6MDM2GLS
SCHEMBL18545591 0.90 TCF4 (0.69) TCF4CTNNB1HDAC6MDM2GLS
SCHEMBL12009026 0.90 GLS (0.58) TCF4CTNNB1HDAC6MDM2GLS
SCHEMBL13464733 0.90 TCF4 (0.72) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL12009033 0.90 TCF4 (0.72) TCF4CTNNB1HDAC6MDM2GLS

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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-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.