SCHEMBL12009027

SCHEMBL12009027

COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 7/20 0.58
▸ ALDH1A1 P00352 8/20 0.57
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ CTDSP1 Q9GZU7 2/20 0.55
▸ TCF4 P15884 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ MAPT P10636 7/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RECQL P46063 2/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL18545441 1.00 POLB (0.58) POLBALDH1A1MEN1KMT2ACTDSP1
SCHEMBL13464569 0.93 POLB (0.60) POLBALDH1A1MEN1KMT2ACTDSP1
SCHEMBL12009039 0.93 POLB (0.65) POLBALDH1A1MEN1KMT2ACTDSP1
SCHEMBL13446961 0.90 POLB (0.61) POLBALDH1A1MEN1KMT2ACTDSP1
SCHEMBL12009118 0.86 TCF4 (0.63) POLBALDH1A1MEN1KMT2ATCF4
SCHEMBL18545470 0.86 TCF4 (0.63) POLBALDH1A1MEN1KMT2ATCF4
SCHEMBL12009041 0.84 TCF4 (0.58) POLBALDH1A1MEN1KMT2ATCF4
SCHEMBL12009051 0.84 TCF4 (0.70) POLBALDH1A1MEN1KMT2ACTDSP1
SCHEMBL18545491 0.84 TCF4 (0.70) POLBALDH1A1MEN1KMT2ACTDSP1
SCHEMBL12009103 0.84 POLB (0.63) POLBALDH1A1MEN1KMT2ACTDSP1

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-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-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-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885ALDH1A1 413/4885MEN1 4655/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885ALDH1A1 413/4885MEN1 4655/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885ALDH1A1 413/4885MEN1 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.

Send feedback