SCHEMBL4667728

SCHEMBL4667728

N#Cc1ccccc1-c1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.68
CA2 P00918 8/20 0.57
CA9 Q16790 8/20 0.57
CA1 P00915 7/20 0.57
CA12 O43570 3/20 0.53
ESR2 Q92731 1/20 0.51
CYP19A1 P11511 8/20 0.51
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
PTPN5 P54829 1/20 0.44

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
SCHEMBL4666054 0.84 CA1 (0.53) STSCA2CA9CA1CA12
SCHEMBL6798309 0.81 CYP19A1 (0.53) STSCA2CA12ESR2CYP19A1
SCHEMBL4667745 0.81 STS (1.00) STSCA2CA9CA1CA12
SCHEMBL4667727 0.81 STS (0.75) STSCA2CA9CA1CA12
SCHEMBL4665452 0.79 STS (0.68) STSCA2CA9CA1CA12
SCHEMBL4668705 0.79 CA2 (0.54) STSCA2CA9CA1CA12
SCHEMBL4667722 0.78 STS (0.84) STSCA2CA9CA1CA12
SCHEMBL4665412 0.77 CYP19A1 (0.56) STSCA2ESR2CYP19A1
SCHEMBL4668665 0.76 STS (0.68) STSCA2CA9CA1CYP19A1
SCHEMBL4665426 0.76 CA2 (0.62) STSCA2CA9CA1CA12

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