SCHEMBL4665401

SCHEMBL4665401

N#CCc1cccc(-c2ccc(OS(N)(=O)=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.56
CA2 P00918 8/20 0.55
CA9 Q16790 6/20 0.55
CA1 P00915 5/20 0.55
STS P08842 6/20 0.55
CYP19A1 P11511 4/20 0.55
CA12 O43570 2/20 0.44
KIF11 P52732 1/20 0.43

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
SCHEMBL4666101 0.85 STS (0.58) CA2CA9CA1STSCYP19A1
SCHEMBL4009763 0.80 MMP3 (0.82) MMP3
SCHEMBL4001097 0.80 MMP3 (0.82) MMP3
SCHEMBL4667205 0.78 CA2 (0.63) CA2CA9CA1STSCYP19A1
SCHEMBL30504282 0.78 MMP3 (0.79) MMP3
SCHEMBL4665452 0.77 STS (0.68) CA2CA9CA1STSCYP19A1
SCHEMBL338712 0.75 MMP3 (0.73) MMP3
SCHEMBL4006124 0.75 MMP3 (0.72) MMP3
SCHEMBL4668705 0.74 CA2 (0.54) CA2CA9CA1STSCYP19A1
SCHEMBL4667165 0.73 CA2 (0.66) CA2CA9CA1STSCYP19A1

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