SCHEMBL12008593

SCHEMBL12008593

O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 1.00
MEN1 O00255 10/20 1.00
CTDSP1 Q9GZU7 6/20 1.00
POLB P06746 5/20 1.00
BLM P54132 2/20 1.00
PTPN7 P35236 5/20 0.90
PTPN12 Q05209 5/20 0.90
PTPN22 Q9Y2R2 5/20 0.90
GPR35 Q9HC97 4/20 0.90
PSMD14 O00487 2/20 0.90
MMP2 P08253 1/20 0.90
GPR55 Q9Y2T6 1/20 0.90
MAPT P10636 2/20 0.79
DDX3X O00571 2/20 0.73
TDP1 Q9NUW8 3/20 0.72
SAE1 Q9UBE0 2/20 0.69
UBA2 Q9UBT2 2/20 0.69
CACNA1B Q00975 2/20 0.69
APBA1 Q02410 2/20 0.69
APAF1 O14727 1/20 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
SCHEMBL12008619 0.95 PTPN7 (1.00) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL6720199 0.92 MEN1 (0.85) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL12008590 0.91 KMT2A (1.00) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL12008765 0.88 PTPN12 (0.91) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL12008591 0.88 PTPN12 (0.80) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL12008618 0.86 PTPN12 (1.00) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL6886480 0.85 MAPK1 (0.75) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL6886476 0.85 MAPK1 (0.75) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL17319538 0.84 MAPT (0.73) KMT2AMEN1CTDSP1POLBBLM
SCHEMBL11913704 0.84 DDX3X (1.00) KMT2AMEN1CTDSP1POLBBLM

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 KMT2A 4503/4885MEN1 3747/4885CTDSP1 3470/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885CTDSP1 2910/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885CTDSP1 2910/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885CTDSP1 2910/4885

“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.