SCHEMBL3384071

SCHEMBL3384071

C[C@@]12CCCC1C1CCc3cc(OS(N)(=O)=O)ccc3C1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 19/20 1.00
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
CA9 Q16790 2/20 0.70
ESR1 P03372 1/20 0.70
CA4 P22748 1/20 0.70
CA6 P23280 1/20 0.70
ESR2 Q92731 1/20 0.70
SHBG P04278 1/20 0.65

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
SCHEMBL3384069 1.00 STS (1.00) STSCA1CA2CA9ESR1
SCHEMBL8629445 0.89 STS (0.80) STSCA1CA2CA9ESR1
SCHEMBL8214022 0.86 STS (0.76) STSCA1CA2CA9ESR1
SCHEMBL23645588 0.85 STS (0.74) STSCA1CA2CA9ESR1
SCHEMBL2232239 0.85 STS (0.74) STSCA1CA2CA9ESR1
SCHEMBL2852317 0.84 STS (0.73) STSCA1CA2CA9ESR1
SCHEMBL14506049 0.83 STS (0.77) STSCA2CA9SHBG
Emate SCHEMBL10062721 0.83 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL14548146 0.83 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL6370815 0.83 STS (1.00) STSCA1CA2CA9ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583130-B1 Substituted with acyl, oxycarbonyl, aminocarbonyl, sulfonyl, or aminosulfonyl; inhibit steroid sulfatase, do not exhibit any estrogenic effect and will not yield any estrogenic products on hydrolysis; treatment of estrogen-dependent tumors SCHERING AG (DE) 2003-06-24 US claimed
EP-0862577-B1 SULPHAMATE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE DERIVATIVES, METHODS OF PRODUCING THEM AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM JENAPHARM GMBH (DE) 1999-04-14 EP claimed
US-5705495-A STEROIDS WITH ESTROGENIC EFFECT JENAPHARM GMBH & CO. KG. (DE) 1998-01-06 US claimed
EP-1599493-B1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LTD (GB) 2010-11-24 EP disclosed
EP-1599493-B1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LTD (GB) 2010-11-24 EP disclosed
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LIMITED (GB) 2009-09-03 US disclosed
US-20060160782-A1 2-Substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action STERIX LIMITED (GB) 2006-07-20 US disclosed
EP-1599493-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION Schering Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004074307-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 WO disclosed
US-6583130-B1 Substituted with acyl, oxycarbonyl, aminocarbonyl, sulfonyl, or aminosulfonyl; inhibit steroid sulfatase, do not exhibit any estrogenic effect and will not yield any estrogenic products on hydrolysis; treatment of estrogen-dependent tumors SCHERING AG (DE) 2003-06-24 US disclosed
US-5705495-A STEROIDS WITH ESTROGENIC EFFECT JENAPHARM GMBH & CO. KG. (DE) 1998-01-06 US 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 (2 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-20060160782-A1 2-Substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action SULT1E1, SULT1A1, SULT2A1 STS 5/4885CA1 327/4885CA2 812/4885
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION SULT1E1, SULT1A1, SULT2A1 STS 5/4885CA1 333/4885CA2 805/4885

“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.