SCHEMBL5165430

SCHEMBL5165430

CC[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 19/20 0.74
CA2 P00918 5/20 0.74
CA9 Q16790 5/20 0.74
CA1 P00915 3/20 0.74
ESR1 P03372 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
ESR2 Q92731 1/20 0.61
ABCC4 O15439 1/20 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
SCHEMBL5167799 0.92 STS (0.63) STSCA2CA9CA1ESR1
SCHEMBL5167900 0.89 STS (0.74) STSCA2CA9CA1ESR1
SCHEMBL12192152 0.85 STS (1.00) STSCA2CA9CA1ESR1
SCHEMBL5168626 0.85 STS (1.00) STSCA2CA9CA1ESR1
SCHEMBL5167329 0.85 STS (1.00) STSCA2CA9CA1ESR1
SCHEMBL5931302 0.85 STS (0.78) STSCA2CA9CA1
SCHEMBL5166218 0.84 STS (0.60) STSCA2CA9CA1ESR1
SCHEMBL5168699 0.83 STS (0.59) STSCA2CA9CA1ESR1
SCHEMBL5167806 0.83 STS (0.59) STSCA2CA9CA1ESR1
SCHEMBL2852317 0.79 STS (0.73) STSCA2CA9CA1ESR1

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-1772462-A2 Steroid sulfamates, method for the production and use thereof Sterix Limited (GB) 2007-04-11 EP claimed
EP-0970104-B1 STEROID SULFAMATES, METHOD FOR THE PRODUCTION AND USE THEREOF STERIX LTD (GB) 2006-11-22 EP claimed
US-6339079-B1 FOR THERAPY AND DIAGNOSIS OF ESTROGEN-DEPENDENT TUMORS ID PHARMA GMBH (DE) 2002-01-15 US claimed
EP-1772462-A2 Steroid sulfamates, method for the production and use thereof Sterix Limited (GB) 2007-04-11 EP disclosed
EP-0970104-B1 STEROID SULFAMATES, METHOD FOR THE PRODUCTION AND USE THEREOF STERIX LTD (GB) 2006-11-22 EP disclosed
US-6339079-B1 FOR THERAPY AND DIAGNOSIS OF ESTROGEN-DEPENDENT TUMORS ID PHARMA GMBH (DE) 2002-01-15 US disclosed