SCHEMBL12009039

SCHEMBL12009039

COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=O)N(c4ccccc4)C3=O)c2C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 7/20 0.65
▸ TCF4 P15884 1/20 0.62
▸ CTNNB1 P35222 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ ALDH1A1 P00352 9/20 0.61
▸ MEN1 O00255 9/20 0.56
▸ KMT2A Q03164 9/20 0.56
▸ MAPT P10636 7/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CTDSP1 Q9GZU7 3/20 0.52
▸ APEX1 P27695 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ RAB9A P51151 7/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50

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
SCHEMBL13464569 0.94 POLB (0.60) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL12009027 0.93 POLB (0.58) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL18545441 0.93 POLB (0.58) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL18545470 0.91 TCF4 (0.63) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL12009118 0.91 TCF4 (0.63) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL12009103 0.91 POLB (0.63) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL12009077 0.90 POLB (0.79) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL18545611 0.90 POLB (0.79) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL13446962 0.89 POLB (0.68) POLBTCF4CTNNB1HDAC6ALDH1A1
SCHEMBL18545617 0.89 TCF4 (0.60) POLBTCF4CTNNB1HDAC6ALDH1A1

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 8 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-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-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 POLB 2397/4885TCF4 22/4885CTNNB1 1/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885TCF4 24/4885CTNNB1 1/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885TCF4 24/4885CTNNB1 1/4885

“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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