SCHEMBL1237204

SCHEMBL1237204

COCO[C@@H]1CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)c(OC)cc4[C@H]3CC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STS P08842 16/20 0.81
CA2 P00918 7/20 0.81
CA9 Q16790 6/20 0.81
CA1 P00915 2/20 0.58
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL446846 0.90 STS (1.00) STSCA2CA9CA1CYP1A2
SCHEMBL14513805 0.90 STS (1.00) STSCA2CA9CA1CYP1A2
SCHEMBL13318875 0.90 STS (1.00) STSCA2CA9CA1CYP1A2
SCHEMBL29551370 0.90 STS (1.00) STSCA2CA9CA1CYP1A2
SCHEMBL10071070 0.90 STS (1.00) STSCA2CA9CA1CYP1A2
SCHEMBL14549386 0.90 STS (1.00) STSCA2CA9CA1CYP1A2
SCHEMBL1236145 0.89 STS (0.78) STSCA2CA9CA1CYP1A2
SCHEMBL13318877 0.89 STS (0.91) STSCA2CA9CA1CYP1A2
SCHEMBL4212435 0.87 STS (0.80) STSCA2CA9CA1CYP1A2
SCHEMBL4212438 0.87 STS (0.80) STSCA2CA9CA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893284-B2 Oestrogen derivatives as inhibitors of steroid sulphatase STERIX LIMITED (GB) 2011-02-22 US disclosed
EP-1608671-B1 OESTROGEN DERIVATIVES AS INHIBITORS OF STEROID SULPHATASE STERIX LTD (GB) 2010-01-06 EP disclosed
US-20060094696-A1 Oestrogen derivatives as inhibitors of steroid sulphatase STERIX LIMITED (GB) 2006-05-04 US disclosed
EP-1608671-A1 OESTROGEN DERIVATIVES AS INHIBITORS OF STEROID SULPHATASE Sterix Limited (GB) 2005-12-28 EP disclosed
WO-2004085459-A1 OESTROGEN DERIVATIVES AS INHIBITORS OF STEROID SULPHATASE STERIX LIMITED (GB) 2004-10-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094696-A1 Oestrogen derivatives as inhibitors of steroid sulphatase HSD17B11, ESRRA, ESRRB STS 5/4885CA2 625/4885CA9 736/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.