SCHEMBL5167329

SCHEMBL5167329

C[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 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 13/20 1.00
CA2 P00918 6/20 1.00
CA9 Q16790 6/20 1.00
CA1 P00915 3/20 1.00
ABCC4 O15439 2/20 0.75
ESR1 P03372 2/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
ESR2 Q92731 1/20 0.67
KDM4E B2RXH2 1/20 0.64
ABCC1 P33527 1/20 0.63
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL5168626 1.00 STS (1.00) STSCA2CA9CA1ABCC4
SCHEMBL12192152 1.00 STS (1.00) STSCA2CA9CA1ABCC4
SCHEMBL5168738 0.92 STS (0.85) STSCA2CA9CA1ABCC4
SCHEMBL12216758 0.91 STS (0.84) STSCA2CA9CA1ABCC4
SCHEMBL628173 0.89 STS (1.00) STSCA2CA9CA1ABCC4
SCHEMBL12609016 0.89 STS (0.81) STSCA2CA9CA1ABCC4
SCHEMBL5165243 0.89 STS (1.00) STSCA2CA9CA1ABCC4
SCHEMBL12192149 0.88 STS (0.78) STSCA2CA9CA1ABCC4
Estradiol Disulfate SCHEMBL6438712 0.88 STS (0.78) STSCA2CA9CA1ABCC4
Estradiol Disulfate SCHEMBL6409238 0.88 STS (0.78) STSCA2CA9CA1ABCC4

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 7 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
WO-2001045678-A2 MEDICAMENT, A METHOD FOR ITS PRODUCTION AND THE USE THEREOF ID PHARMA GMBH (DE) 2001-06-28 WO 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
WO-2001045678-A2 MEDICAMENT, A METHOD FOR ITS PRODUCTION AND THE USE THEREOF ID PHARMA GMBH (DE) 2001-06-28 WO disclosed
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 disclosed