SCHEMBL10180679

SCHEMBL10180679

COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc4cc(C(=O)N5CCN(Cc6ccc(OCC(F)(F)F)cc6)CC5)n(C)c4c3)nc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 20/20 0.64

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
Hydrochloric Acid SCHEMBL3059710 0.99 STAT3 (0.63) STAT3
Hydrochloric Acid SCHEMBL3057132 0.94 STAT3 (0.63) STAT3
Hydrochloric Acid SCHEMBL3055779 0.94 STAT3 (0.57) STAT3
Bromide SCHEMBL3067281 0.94 STAT3 (0.62) STAT3
SCHEMBL3054990 0.92 STAT3 (0.57) STAT3
Hydrochloric Acid SCHEMBL3063554 0.90 STAT3 (0.61) STAT3
SCHEMBL3063273 0.90 STAT3 (0.57) STAT3
SCHEMBL3052980 0.89 STAT3 (0.57) STAT3
Hydrochloric Acid SCHEMBL3051754 0.89 STAT3 (0.51) STAT3
Hydrochloric Acid SCHEMBL3067415 0.89 STAT3 (0.59) STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP claimed