SCHEMBL4667316

SCHEMBL4667316

COC(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 14/20 0.60
CYP19A1 P11511 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 2/20 0.46
EGFR P00533 1/20 0.45
RAB9A P51151 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL28577777 0.82 EGFR (0.52) CA12CA1CA2CA9CA14
SCHEMBL4667722 0.81 STS (0.84) STSCYP19A1CA12CA1CA2
SCHEMBL4665441 0.79 STS (0.90) STSCA12CA1CA2CA9
SCHEMBL9451322 0.77 STS (1.00) STSCA12CA1CA2CA9
SCHEMBL15999096 0.77 PTGS1 (0.51) EGFRRAB9A
SCHEMBL3722137 0.76 EGFR (0.51) CA12CA1CA2CA9CA14
SCHEMBL28577779 0.76 EGFR (0.49) EGFRPTGS2
SCHEMBL4667727 0.76 STS (0.75) STSCYP19A1CA12CA1CA2
SCHEMBL4667745 0.76 STS (1.00) STSCYP19A1CA12CA1CA2
SCHEMBL404224 0.74 EGFR (0.57) CA12CA1CA2CA9CA14

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
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed