SCHEMBL1259385

SCHEMBL1259385

C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(NS(=O)(=O)O)ccc3[C@H]1CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.67
STS P08842 9/20 0.63
ABCC4 O15439 3/20 0.50
ABCC1 P33527 2/20 0.50
CYP2C9 P11712 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
HSD17B1 P14061 3/20 0.49
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
AKR1B10 O60218 1/20 0.48
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
SERPINA6 P08185 1/20 0.48
AR P10275 1/20 0.48
CYP19A1 P11511 1/20 0.48
AKR1B1 P15121 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL3381342 1.00 SHBG (0.67) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL7043160 0.90 SHBG (0.64) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL2849680 0.85 STS (0.47) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL712799 0.84 STS (0.70) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL6869676 0.84 STS (0.70) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL3908652 0.82 ABCC1 (0.70) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL8629445 0.82 STS (0.80) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL17515290 0.81 STS (0.61) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL7096088 0.81 ESR1 (0.68) SHBGSTSABCC4ABCC1CYP2C9
SCHEMBL6633753 0.81 STS (0.44) SHBGSTSABCC4ABCC1CYP2C9

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-8492570-B2 2-substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumor action STERIX LIMITED (GB) 2013-07-23 US disclosed
US-RE42132-E1 have special action with respect to tubulin polymerization inhibition and can be used for treating prostate cancer, breast cancer, colon cancer, non-small-cell-lung cancer, or primary dermal microvascular endothelial cell proliferation; 2-methoxy-17a-oxo-17a-homoestra-1,3,5(10)-trien-3-yl sulfamate STERIX LIMITED (GB) 2011-02-08 US 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
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-1594884-B1 ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES STERIX LTD (GB) 2010-01-13 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-7427610-B2 2-substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action STERIX LIMITED (GB) 2008-09-23 US disclosed
US-7244762-B2 For therapy of prostate cancer STERIX LIMITED (GB) 2007-07-17 US disclosed
US-20060211670-A1 Antitumoral18a-homoestra-1,3,5(10)-trien-3yl 2-substituted sulfamates STERIX LIMITED (GB) 2006-09-21 US disclosed
EP-1212346-A1 NOVEL C13-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL-SULFAMATES, A METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS JENAPHARM GmbH (DE) 2002-06-12 EP disclosed
EP-1212346-A1 NOVEL C13-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL-SULFAMATES, A METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS JENAPHARM GmbH (DE) 2002-06-12 EP disclosed
EP-1212346-A1 NOVEL C13-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL-SULFAMATES, A METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS JENAPHARM GmbH (DE) 2002-06-12 EP disclosed
WO-2001018028-A8 NOVEL C13-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL-SULFAMATES, A METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS FOR INHIBITING OESTRONE SULFATASE JENAPHARM GMBH (DE) 2001-06-07 WO disclosed
WO-2001018028-A8 NOVEL C13-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL-SULFAMATES, A METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS FOR INHIBITING OESTRONE SULFATASE JENAPHARM GMBH (DE) 2001-06-07 WO disclosed
WO-2001018028-A1 NOVEL C13-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL-SULFAMATES, A METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS FOR INHIBITING OESTRONE SULFATASE JENAPHARM GMBH & CO. KG (DE) 2001-03-15 WO disclosed
WO-2001018028-A1 NOVEL C13-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL-SULFAMATES, A METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS FOR INHIBITING OESTRONE SULFATASE JENAPHARM GMBH & CO. KG (DE) 2001-03-15 WO disclosed
WO-2001018028-A1 NOVEL C13-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL-SULFAMATES, A METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS FOR INHIBITING OESTRONE SULFATASE JENAPHARM GMBH & CO. KG (DE) 2001-03-15 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

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-20060211670-A1 Antitumoral18a-homoestra-1,3,5(10)-trien-3yl 2-substituted sulfamates NR5A1, CYP19A1, SULT1E1 SHBG 14/4885STS 16/4885ABCC4 1876/4885
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION SULT1E1, SULT1A1, SULT2A1 SHBG 14/4885STS 5/4885ABCC4 1929/4885

“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.