SCHEMBL712799

SCHEMBL712799

C[C@]12CC[C@@H]3c4ccc(NS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.70
ABCC4 O15439 1/20 0.70
CYP2C9 P11712 1/20 0.70
ABCC1 P33527 1/20 0.70
SLCO1B1 Q9Y6L6 1/20 0.70
HSD17B1 P14061 3/20 0.70
CYP3A4 P08684 3/20 0.70
LMNA P02545 2/20 0.70
MAPT P10636 2/20 0.70
ESR1 P03372 2/20 0.70
ESR2 Q92731 2/20 0.70
CYP19A1 P11511 2/20 0.70
AKR1B10 O60218 1/20 0.70
SHBG P04278 1/20 0.70
CYP1A2 P05177 1/20 0.70
PGR P06401 1/20 0.70
SERPINA6 P08185 1/20 0.70
AR P10275 1/20 0.70
AKR1B1 P15121 1/20 0.70
NFKB1 P19838 1/20 0.70

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
SCHEMBL6869676 1.00 STS (0.70) STSABCC4CYP2C9ABCC1SLCO1B1
SCHEMBL17515290 0.93 STS (0.61) STSABCC4CYP2C9ABCC1SLCO1B1
SCHEMBL8408458 0.89 STS (0.71) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone SCHEMBL22847 0.85 STS (0.91) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone SCHEMBL6693553 0.85 STS (0.91) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone SCHEMBL669802 0.84 STS (0.89) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone SCHEMBL22551313 0.84 STS (0.89) STSABCC4CYP2C9ABCC1SLCO1B1
SCHEMBL22382721 0.84 STS (0.73) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone SCHEMBL8901907 0.84 STS (0.89) STSABCC4CYP2C9ABCC1SLCO1B1
SCHEMBL27464072 0.84 STS (0.76) STSABCC4CYP2C9ABCC1SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039866-A1 16- AND 17- DEUTERATED ESTROGEN-3-SULFAMATES AS ESTROGENIC AGENTS UNIVERSITY OF BATH (GB) 2016-02-11 US disclosed
EP-1996604-B1 STEROIDAL COMPOUNDS AS STEROID SULPHATASE INHIBITORS STERIX LTD (GB) 2013-09-25 EP disclosed
CN-101395171-B Steroids as steroid sulphatase inhibitors STERIX LTD 2012-10-31 CN disclosed
US-8124614-B2 Steroidal compounds for inhibiting steroid sulphatase STERIX LIMITED (GB) 2012-02-28 US disclosed
US-8003783-B2 Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer STERIX LIMITED (GB) 2011-08-23 US disclosed
US-7968561-B2 Steroidal compounds as steroid sulphatase inhibitors STERIX LIMITED (GB) 2011-06-28 US disclosed
US-7846965-B2 a non-steroidal sulphamate compound such as 6-Oxo-8,9,10,11-tetrahydro-7H-cyclohepta-[c][1]benzopyran-3-O-sulphamate, suitable for use as an inhibitor of estrone sulphatase, for the treatment of endocrine-dependent cancers and tumors, such as the breast and endometrium STERIX LIMITED (GB) 2010-12-07 US disclosed
US-20100197647-A1 COMPOUNDS THAT INHIBIT OESTRONE SULPHATASE; COMPOSITIONS THEREOF; AND METHODS EMPLOYING THE SAME STERIX LIMITED (GB) 2010-08-05 US disclosed
US-20100105764-A1 USE STERIX LIMITED (GB) 2010-04-29 US disclosed
US-20090182000-A1 STEROIDAL COMPOUNDS AS STEROID SULPHATASE INHIBITORS RICHTER GEDEON NYRT. (HU) 2009-07-16 US disclosed
US-6506792-B1 Breast and endometrial cancers are major causes of death in Western women. In particular, tumours in endocrine-dependent tissues, such as the breast and endometrium, occur most frequently in postmenopausal women at a time when the ovaries STERIX LIMITED (GB) 2003-01-14 US disclosed
WO-2002032409-A2 USE OF COMPOUND IN THE MANUFACTURE OF A PHARMACEUTICAL FOR INHIBITING STEROID SULPHATASE AND STEROID DEHYDROGENASE ACTIVITY STERIX LIMITED (GB) 2002-04-25 WO disclosed
US-6239169-B1 ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES STERIX LIMITED (GB) 2001-05-29 US disclosed
US-6083978-A SULPHAMOYLATING A FLAVONE, ISOFLAVONE OR A FLAVANONE; OESTRONE SULFATASE OR AROMATASE INHIBITOR STERIX LIMITED (GB) 2000-07-04 US disclosed
EP-0942919-A2 COMPOUND IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDICINE (GB) 1999-09-22 EP disclosed
EP-0885211-A1 COMPOUNDS WITH A SULFAMATE GROUP IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDICINE (GB) 1998-12-23 EP disclosed
EP-0880514-A1 NON-STEROIDAL POLYCYCLIC RING SULPHAMATE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS OESTRONE SULPHATASE INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDICINE (GB) 1998-12-02 EP disclosed
WO-1998024802-A2 COMPOUND IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY AND MEDICINE (GB) 1998-06-11 WO disclosed
WO-1997032872-A1 COMPOUNDS WITH A SULFAMATE GROUP IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY AND MEDICINE (GB) 1997-09-12 WO disclosed
WO-1997030041-A1 NON-STEROIDAL POLYCYCLIC RING SULPHAMATE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS OESTRONE SULPHATASE INHIBITORS IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY AND MEDICINE (GB) 1997-08-21 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 (4 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-20160039866-A1 16- AND 17- DEUTERATED ESTROGEN-3-SULFAMATES AS ESTROGENIC AGENTS ESR1, ESR2, HSD17B11 STS 7/4885ABCC4 2398/4885CYP2C9 1507/4885
US-20100197647-A1 COMPOUNDS THAT INHIBIT OESTRONE SULPHATASE; COMPOSITIONS THEREOF; AND METHODS EMPLOYING THE SAME CYP19A1, SHBG, CYP21A2 STS 6/4885ABCC4 2521/4885CYP2C9 165/4885
US-20090182000-A1 STEROIDAL COMPOUNDS AS STEROID SULPHATASE INHIBITORS STS, SULT1E1, CYP17A1 STS 1/4885ABCC4 319/4885CYP2C9 108/4885
US-20100105764-A1 USE HSD17B11, CYP19A1, CYP17A1 STS 15/4885ABCC4 886/4885CYP2C9 149/4885

“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.