SCHEMBL345571

SCHEMBL345571

C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.76
CA1 P00915 2/20 0.69
CA2 P00918 2/20 0.69
CA9 Q16790 2/20 0.69
ESR1 P03372 4/20 0.68
ESR2 Q92731 3/20 0.68
LMNA P02545 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HIF1A Q16665 1/20 0.68
NR3C1 P04150 1/20 0.68
SHBG P04278 1/20 0.68
PGR P06401 1/20 0.68
SERPINA6 P08185 1/20 0.68
AR P10275 1/20 0.68
PTGS1 P23219 1/20 0.68
SLC6A4 P31645 1/20 0.68
SNCA P37840 1/20 0.68
SLC6A3 Q01959 1/20 0.68
OR51E2 Q9H255 1/20 0.68

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
SCHEMBL6369320 1.00 STS (0.76) STSCA1CA2CA9ESR1
SCHEMBL5167881 0.91 STS (0.75) STSCA1CA2CA9ESR1
SCHEMBL5521870 0.91 ABCC4 (0.76) STSCA1CA2CA9ESR1
SCHEMBL2517551 0.91 ABCC4 (0.76) STSCA1CA2CA9ESR1
SCHEMBL5164441 0.90 STS (0.74) STSCA1CA2CA9ESR1
SCHEMBL5164440 0.90 STS (0.77) STSCA1CA2CA9ESR1
SCHEMBL6440061 0.90 KDM4E (0.76) STSCA1CA2CA9ESR1
SCHEMBL8214049 0.88 ESR1 (0.66) STSCA1CA2CA9ESR1
SCHEMBL6369302 0.88 ESR1 (0.66) STSCA1CA2CA9ESR1
SCHEMBL3371578 0.88 ESR1 (0.66) 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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452175-B2 Pregnancy hormone combination for treatment of autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-27 US claimed
US-20160082017-A1 ESTRIOL THERAPY FOR MULTIPLE SCLEROSIS AND OTHER AUTOIMMUNE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 US claimed
US-9168262-B2 Estriol therapy for multiple sclerosis and other autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-27 US claimed
EP-2698167-A2 Dosage form of an estriol and glatiramer acetate polymer-1 for the treatment of multiple sclerosis The Regents of The University of California (US) 2014-02-19 EP claimed
US-20130280213-A1 ESTRIOL THERAPY FOR MULTIPLE SCLEROSIS AND OTHER AUTOIMMUNE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-24 US claimed
US-20120322779-A9 Estriol Therapy for Autoimmune and Neurodegenerative Diseases and Disorders NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-12-20 US claimed
US-20120014915-A9 Estriol Therapy for Autoimmune and Neurodegenerative Disease and Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-19 US claimed
US-20090297477-A1 Estriol Therapy for Autoimmune and Neurodegenerative Disease and Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-03 US claimed
US-20090131385-A1 Estriol Therapy for Autoimmune and Neurodegenerative Diseases and Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-21 US claimed
EP-1929291-A2 ESTRIOL THERAPY FOR AUTOIMMUNE AND NEURODEGENERATAIVE DISEASES AND DISORDERS The Regents of the University of California (US) 2008-06-11 EP claimed
WO-2003072109-A1 USE OF BIOGENIC ESTRIOL SULFAMATE PRODRUGS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-09-04 WO claimed
JP-2003519658-A 2003-06-24 JP claimed
CN-1404394-A Composition comprising a metal oxide and a metal oxide STERIX LTD (GB) 2003-03-19 CN claimed
US-20020183299-A1 Estriol therapy for multiple sclerosis and other autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-12-05 US claimed
WO-2002085374-A1 ESTRIOL THERAPY FOR MULTIPLE SCLEROSIS AND OTHER AUTOIMMUNE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-10-31 WO claimed
EP-1248626-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING STEROIDAL STRUCTURES AND USES THEREOF Sterix Limited (GB) 2002-10-16 EP claimed
US-20020061868-A1 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives STERIX LIMITED (GB) 2002-05-23 US claimed
CN-1311683-A Use of biogenic estrogen sulfamates for hormone replacement therapy JENAPHARM GMBH (DE) 2001-09-05 CN claimed
WO-2001051055-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING STEROIDAL STRUCTURES AND USES THEREOF STERIX LIMITED (GB) 2001-07-19 WO claimed
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 claimed

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-20020061868-A1 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives ESRRA, ESR2, CYP19A1 STS 124/4885CA1 3531/4885CA2 4144/4885

“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.