SCHEMBL12008483

SCHEMBL12008483

O=C(O)CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 11/20 0.85
▸ KMT2A Q03164 10/20 0.85
▸ MEN1 O00255 8/20 0.85
▸ USP2 O75604 2/20 0.85
▸ CASP6 P55212 1/20 0.85
▸ BLM P54132 4/20 0.64
▸ DNMT1 P26358 1/20 0.64
▸ NCOA1 Q15788 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NCOA3 Q9Y6Q9 1/20 0.56
▸ PPARG P37231 2/20 0.55
▸ APAF1 O14727 1/20 0.55
▸ ADAMTS5 Q9UNA0 1/20 0.55
▸ DUSP26 Q9BV47 1/20 0.54
▸ PLG P00747 1/20 0.53
▸ TAS2R14 Q9NYV8 1/20 0.53
▸ MAP3K5 Q99683 1/20 0.51
▸ CISD1 Q9NZ45 2/20 0.50
▸ MAOA P21397 1/20 0.50
▸ GFER P55789 1/20 0.49

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
SCHEMBL12008500 0.87 PPARG (0.71) POLBKMT2AMEN1USP2CASP6
SCHEMBL12008814 0.82 PPARG (0.77) POLBKMT2AMEN1USP2CASP6
SCHEMBL12008517 0.82 POLB (0.78) POLBKMT2AMEN1USP2CASP6
SCHEMBL12008507 0.80 KMT2A (0.71) POLBKMT2AMEN1BLMDNMT1
SCHEMBL12008708 0.80 KMT2A (0.68) POLBKMT2AMEN1USP2CASP6
SCHEMBL12008509 0.80 KMT2A (0.72) POLBKMT2AMEN1BLMDNMT1
SCHEMBL7144443 0.79 KMT2A (0.82) POLBKMT2AMEN1USP2CASP6
SCHEMBL7144445 0.79 KMT2A (0.82) POLBKMT2AMEN1USP2CASP6
SCHEMBL12008505 0.79 AKR1B1 (0.72) POLBKMT2AMEN1NCOA3APAF1
SCHEMBL12008790 0.78 PPARG (0.76) POLBKMT2AMEN1PPARGMAP3K5

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 POLB 2397/4885KMT2A 4503/4885MEN1 3747/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885KMT2A 4591/4885MEN1 4655/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885KMT2A 4591/4885MEN1 4655/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885KMT2A 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.

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