SCHEMBL3374308

SCHEMBL3374308

CN(C)S(=O)(=O)Oc1cc2c(c(O)c1O)C1CC[C@]3(C)CCCC3C1CC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STS P08842 14/20 0.52
SHBG P04278 1/20 0.48
CA2 P00918 5/20 0.37
CA9 Q16790 4/20 0.37
HSD17B1 P14061 3/20 0.37
ESR1 P03372 2/20 0.37
CA1 P00915 1/20 0.36
ABCC4 O15439 1/20 0.35

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
SCHEMBL8216010 1.00 STS (0.52) STSSHBGCA2CA9HSD17B1
SCHEMBL3373874 0.90 STS (0.48) STSSHBGCA2CA9HSD17B1
SCHEMBL6869789 0.88 STS (0.64) STSSHBGCA2CA9
SCHEMBL3370529 0.86 STS (0.50) STSSHBGCA2CA9HSD17B1
SCHEMBL3371053 0.82 STS (0.46) STSSHBGCA2CA9HSD17B1
SCHEMBL3371048 0.82 STS (0.46) STSSHBGCA2CA9HSD17B1
SCHEMBL8571107 0.79 SHBG (0.60) STSSHBGHSD17B1ESR1
SCHEMBL7101544 0.78 SHBG (0.52) STSSHBGCA2CA9HSD17B1
SCHEMBL6130909 0.77 STS (0.48) STSSHBGCA2CA9ESR1
SCHEMBL8088835 0.75 SHBG (0.54) STSSHBGHSD17B1ESR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284273-B1 Estra-1,3,5(10)-trien-3-sulfamates a process for their production and pharmaceutical compositions containing them STERIX LTD (GB) 2010-09-29 EP claimed
EP-0775156-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ESTRA-1,3,5(10)-TRIENE DERIVATIVES JENAPHARM GMBH (DE) 2003-09-03 EP claimed
EP-1284273-A2 Estra-1,3,5(10)-trien-3-sulfamates a process for their production and pharmaceutical compositions containing them JENAPHARM GmbH (DE) 2003-02-19 EP claimed
US-6080735-A SUITABLE FOR HORMONAL CONTRACEPTION AND CLIMACTERIC HORMONE REPLACEMENT THERAPY (HRT) AS WELL AS FOR TREATMENT OF GYNECOLOGICAL AND ANDROLOGICAL DISEASES JENAPHARM GMBH & CO. KG (DE) 2000-06-27 US claimed
EP-1284273-B1 Estra-1,3,5(10)-trien-3-sulfamates a process for their production and pharmaceutical compositions containing them STERIX LTD (GB) 2010-09-29 EP disclosed
EP-1284273-A2 Estra-1,3,5(10)-trien-3-sulfamates a process for their production and pharmaceutical compositions containing them JENAPHARM GmbH (DE) 2003-02-19 EP disclosed