SCHEMBL12009727

SCHEMBL12009727

COc1ccc(C)cc1-n1c(C)cc(C=C2SC(=O)N(c3ccccc3)C2=O)c1C

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
▸ NPC1 O15118 10/20 0.60
▸ RAB9A P51151 9/20 0.60
▸ KMT2A Q03164 8/20 0.60
▸ ALDH1A1 P00352 7/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ MYC P01106 1/20 0.49
▸ POLB P06746 3/20 0.46
▸ PSMD14 O00487 1/20 0.46
▸ MEN1 O00255 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ S1PR4 O95977 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ S1PR5 Q9H228 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL12009047 0.90 TCF4 (0.59) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL18545578 0.89 TCF4 (0.66) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL12009037 0.89 TCF4 (0.66) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL12009720 0.89 TCF4 (0.59) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL18545661 0.87 TCF4 (0.55) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL12009117 0.87 TCF4 (0.55) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL13464669 0.86 TCF4 (0.63) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL12009063 0.86 TCF4 (0.65) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL18545440 0.86 TCF4 (0.65) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL12009120 0.83 TCF4 (0.73) TCF4CTNNB1HDAC6NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TCF4 22/4885CTNNB1 1/4885HDAC6 217/4885
US-20090227624-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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