SCHEMBL12008814

SCHEMBL12008814

O=C(O)CCN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.77
▸ POLB P06746 8/20 0.73
▸ KMT2A Q03164 10/20 0.67
▸ MEN1 O00255 8/20 0.67
▸ BLM P54132 1/20 0.67
▸ APAF1 O14727 1/20 0.61
▸ ADAMTS5 Q9UNA0 1/20 0.61
▸ USP2 O75604 2/20 0.58
▸ CASP6 P55212 1/20 0.58
▸ MAP3K5 Q99683 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ TCF7L2 Q9NQB0 1/20 0.57
▸ PSMD14 O00487 1/20 0.54
▸ PLEC Q15149 1/20 0.54
▸ CISD1 Q9NZ45 2/20 0.54
▸ MAOA P21397 1/20 0.54
▸ DUSP26 Q9BV47 1/20 0.54
▸ TAS2R14 Q9NYV8 1/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ NCOA1 Q15788 1/20 0.51

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
SCHEMBL12008443 0.90 POLB (0.89) PPARGPOLBKMT2AMEN1APAF1
SCHEMBL30378479 0.87 PPARG (1.00) PPARGPOLBKMT2AMEN1APAF1
SCHEMBL12008501 0.87 PPARG (0.83) PPARGPOLBKMT2AMEN1APAF1
SCHEMBL12008499 0.87 PPARG (1.00) PPARGPOLBKMT2AMEN1APAF1
SCHEMBL12008456 0.84 POLB (1.00) PPARGPOLBKMT2AMEN1APAF1
SCHEMBL12008483 0.82 POLB (0.85) PPARGPOLBKMT2AMEN1BLM
SCHEMBL12008516 0.82 PPARG (0.90) PPARGPOLBKMT2AMEN1APAF1
SCHEMBL12008518 0.82 POLB (0.88) PPARGPOLBKMT2AMEN1APAF1
SCHEMBL6883788 0.82 PPARG (0.74) PPARGPOLBKMT2AMEN1APAF1
SCHEMBL12008442 0.81 PPARG (0.75) PPARGPOLBKMT2AMEN1APAF1

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 7 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-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-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-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 PPARG 295/4885POLB 2397/4885KMT2A 4503/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 PPARG 152/4885POLB 2088/4885KMT2A 4591/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PPARG 152/4885POLB 2088/4885KMT2A 4591/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PPARG 152/4885POLB 2088/4885KMT2A 4591/4885

“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.

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