SCHEMBL4668682

SCHEMBL4668682

COc1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.88
CA9 Q16790 11/20 0.88
CA1 P00915 10/20 0.88
CA12 O43570 1/20 0.62
KIF11 P52732 1/20 0.59
STS P08842 6/20 0.55

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
SCHEMBL9451479 0.94 CA2 (1.00) CA2CA9CA1CA12STS
SCHEMBL3902346 0.91 CA2 (0.95) CA2CA9CA1CA12STS
SCHEMBL4665396 0.83 CA2 (0.88) CA2CA9CA1CA12KIF11
SCHEMBL4665408 0.83 CA2 (0.68) CA2CA9CA1CA12KIF11
SCHEMBL4666147 0.81 CA2 (0.70) CA2CA9CA1CA12KIF11
SCHEMBL4665445 0.81 CA2 (0.57) CA2CA9CA1CA12
SCHEMBL7263619 0.81 CA2 (1.00) CA2CA9CA1CA12KIF11
SCHEMBL6800066 0.79 CA2 (0.68) CA2CA9CA1CA12KIF11
SCHEMBL4667759 0.79 CA2 (0.88) CA2CA9CA1CA12KIF11
SCHEMBL6849995 0.79 PTGS2 (0.72) CA2CA9CA1CA12

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