SCHEMBL12009113

SCHEMBL12009113

Cc1cc(C=C2SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.61
▸ CTNNB1 P35222 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ POLB P06746 10/20 0.59
▸ MYC P01106 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.51
▸ KMT2A Q03164 10/20 0.49
▸ MEN1 O00255 8/20 0.49
▸ MAPT P10636 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ RECQL P46063 2/20 0.47
▸ APEX1 P27695 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ NSD2 O96028 1/20 0.45

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
SCHEMBL13446972 0.94 TCF4 (0.60) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL12009088 0.91 TCF4 (0.58) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL18545442 0.91 TCF4 (0.58) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL12009105 0.89 POLB (0.63) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL18545456 0.89 POLB (0.63) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL12009090 0.88 TCF4 (0.63) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL13464669 0.88 TCF4 (0.63) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL12009093 0.87 TCF4 (0.66) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL12009043 0.86 TCF4 (0.68) TCF4CTNNB1HDAC6POLBMYC
SCHEMBL18545596 0.86 TCF4 (0.68) TCF4CTNNB1HDAC6POLBMYC

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-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 (2 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 TCF4 24/4885CTNNB1 1/4885HDAC6 74/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TCF4 24/4885CTNNB1 1/4885HDAC6 74/4885

“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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