SCHEMBL4665441

SCHEMBL4665441

COC(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.90
CA1 P00915 9/20 0.66
CA2 P00918 9/20 0.66
CA9 Q16790 8/20 0.66
CA12 O43570 6/20 0.66
CA14 Q9ULX7 4/20 0.66
RAB9A P51151 1/20 0.59

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
SCHEMBL9451322 0.95 STS (1.00) STSCA1CA2CA9CA12
SCHEMBL6798469 0.83 STS (0.77) STSCA1CA2CA9CA12
SCHEMBL10260278 0.82 ALDH1A1 (0.72) STSCA1CA2CA9CA12
SCHEMBL4667723 0.81 STS (0.67) STSCA1CA2CA9CA12
SCHEMBL6132404 0.81 STS (0.59) STSCA1CA2CA9CA12
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.80 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL19387238 0.80 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL4667316 0.79 STS (0.60) STSCA1CA2CA9CA12
SCHEMBL980002 0.79 STS (0.71) STSCA1CA2CA9CA12
SCHEMBL269558 0.78 CA1 (0.88) CA1CA2CA9CA12CA14

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