Enrasentan

Enrasentan

SCHEMBL1031130

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCCO)C(C(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

EDNRAEDNRB

The experimentally established mechanism targets of Enrasentan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA known ✓ P25101 20/20 1.00
EDNRB known ✓ P24530 19/20 1.00

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
Enrasentan SCHEMBL29356829 1.00 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL7636324 1.00 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL8206689 1.00 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1649828 1.00 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL8008492 0.98 EDNRA (0.97) EDNRAEDNRB
Enrasentan SCHEMBL7660593 0.98 EDNRA (0.95) EDNRAEDNRB
Enrasentan SCHEMBL7610103 0.98 EDNRA (0.95) EDNRAEDNRB
SCHEMBL13038489 0.97 EDNRA (0.93) EDNRAEDNRB
SCHEMBL8203979 0.97 EDNRA (0.93) EDNRAEDNRB
SCHEMBL7538909 0.96 EDNRA (0.92) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246062-B1 Methods and compositions for emergency contraception using endothelin receptor antagonists POPULATION COUNCIL INC (US) 2012-09-26 EP disclosed
US-8173593-B2 Methods and compositions for emergency contraception using endothelin receptor antagonists THE POPULATION COUNCIL, INC. (US) 2012-05-08 US disclosed
EP-1906987-B1 METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS POPULATION COUNCIL INC (US) 2011-01-19 EP disclosed
EP-2246062-A1 Methods and compositions for emergency contraception using endothelin receptor antagonists THE POPULATION COUNCIL, INC. (US) 2010-11-03 EP disclosed
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy BASF AKTIENGESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090203591-A1 Methods and compositions for emergency contraception using endothelin receptor antagonists THE POPULATION COUNCIL, INC. (US) 2009-08-13 US disclosed
EP-0915699-A4 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-06-25 EP disclosed
EP-0699069-B9 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-10-22 EP disclosed
US-6448260-B2 3-(2-CARBOXYMETHOXY-4-METHOXYPHENYL)-1-(3,4-METHYLENEDIOXY -PHENYL)-5-(PROP-1-YLOXY)-INDANE-2-CARBOXYLIC ACID AS AN ESPECIALLY PREFERRED COMPOUND; HYPOTENSIVE AGENTS; CARDIOVASCULAR, UROGENITAL AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-09-10 US disclosed
US-6355813-B1 INTERMEDIATES USEFUL IN PREPARING THESE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2002-03-12 US disclosed
US-6143907-A 3-phenyl-1-methylenedioxyphenyl-indane-2-carboxylic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2000-11-07 US disclosed
US-6087389-A TREATING CARDIOVASCULAR AND RENAL DISEASES INCLUDING HYPERTENSION, ACUTE AND CHRONIC RENAL FAILURE, CYCLOSPORINE INDUCED NEPHROTOXICITY, STROKE, CEREBROVASCULAR VASOSPASM, MYOCARDIAL ISCHEMIA, ANGINA, HEART FAILURE, ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-11 US disclosed
US-6080862-A PREPARING (1S, 2R, 3S)-3-(2-HYDROXYETH-1-YLOXY)-4-METHOXYPHENYL) 1-(3,4-METHYLENEDIOXYPHENYL) 5-(PROP-1-YLOXY)INDANE-2-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION (US) 2000-06-27 US disclosed
EP-0880518-A4 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORP (US) 1999-07-28 EP disclosed
EP-0915699-A1 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-19 EP disclosed
EP-0880518-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1998-12-02 EP disclosed
EP-0876352-A1 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-11 EP disclosed
WO-1997017071-A1 STEREOSELECTIVE SYNTHESIS OF ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed
WO-1997017330-A1 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed
WO-1997017342-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 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-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 EDNRA 2/4885EDNRB 1/4885

“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.