SCHEMBL6886476

SCHEMBL6886476

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.75
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
CTDSP1 Q9GZU7 2/20 0.73
POLB P06746 1/20 0.73
BLM P54132 1/20 0.73
DDX3X O00571 2/20 0.71
MAPT P10636 4/20 0.68
PTPN7 P35236 3/20 0.68
PTPN12 Q05209 3/20 0.68
GPR35 Q9HC97 3/20 0.68
PTPN22 Q9Y2R2 3/20 0.68
PSMD14 O00487 1/20 0.68
MMP2 P08253 1/20 0.68
GPR55 Q9Y2T6 1/20 0.68
CISD1 Q9NZ45 2/20 0.65
MAOA P21397 1/20 0.65
KDM4E B2RXH2 1/20 0.61
HTT P42858 1/20 0.61
NCOA3 Q9Y6Q9 2/20 0.61

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
SCHEMBL6886480 1.00 MAPK1 (0.75) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL12008556 0.94 PTPN7 (0.74) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL12008759 0.94 MAPK1 (0.66) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL1904245 0.89 MAPK1 (0.71) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL1904246 0.89 MAPK1 (0.71) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL1904243 0.89 MAPK1 (0.71) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL6888301 0.88 MAPK1 (0.63) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL6720199 0.87 MEN1 (0.85) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL30034885 0.85 PTPN7 (0.66) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL12008593 0.85 KMT2A (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 16 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
US-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 US disclosed
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders ANGELIKA ESSWEIN, WOLFGANG SCHAEFER, AND KONRAD HONOLD 2003-02-13 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 (5 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 MAPK1 1617/4885KMT2A 4503/4885MEN1 3747/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MAPK1 2030/4885KMT2A 4591/4885MEN1 4655/4885
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders NR1H4, NR1D1, NR1I2 MAPK1 1107/4885KMT2A 1995/4885MEN1 838/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPK1 2030/4885KMT2A 4591/4885MEN1 4655/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPK1 2030/4885KMT2A 4591/4885MEN1 4655/4885

“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.