SCHEMBL4668705

SCHEMBL4668705

N#CCc1ccccc1-c1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.54
CA9 Q16790 13/20 0.54
CA1 P00915 12/20 0.54
STS P08842 6/20 0.50
CA12 O43570 2/20 0.43
CYP19A1 P11511 3/20 0.42
KIF11 P52732 1/20 0.42

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
SCHEMBL4667728 0.79 STS (0.68) CA2CA9CA1STSCA12
SCHEMBL4666101 0.78 STS (0.58) CA2CA9CA1STSCYP19A1
SCHEMBL4665426 0.76 CA2 (0.62) CA2CA9CA1STSCA12
SCHEMBL4665425 0.76 ABL1 (0.51)
SCHEMBL4665401 0.74 MMP3 (0.56) CA2CA9CA1STSCA12
SCHEMBL4665452 0.74 STS (0.68) CA2CA9CA1STSCA12
SCHEMBL4668685 0.73 CA2 (0.62) CA2CA9CA1STSCA12
SCHEMBL4665451 0.73 CA2 (0.62) CA2CA9CA1STSCA12
SCHEMBL1343377 0.73 DPP4 (0.56)
SCHEMBL29019013 0.72 TNF (0.47)

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