Darusentan

Darusentan

SCHEMBL1068546

COc1cc(OC)nc(OC(C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1

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 Darusentan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB known ✓ P24530 20/20 1.00
EDNRA known ✓ P25101 20/20 1.00
NR1I2 O75469 1/20 0.74
KCNE1 P15382 1/20 0.74
KCNQ1 P51787 1/20 0.74
POLB P06746 1/20 0.74

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
Darusentan SCHEMBL795084 1.00 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7934042 0.93 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13066899 0.93 EDNRB (0.86) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL8021756 0.92 EDNRB (0.86) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL2350734 0.90 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL1068402 0.90 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
Darusentan SCHEMBL6895168 0.89 EDNRB (0.80) EDNRBEDNRANR1I2KCNE1KCNQ1
Darusentan SCHEMBL14026681 0.88 EDNRB (0.78) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7071036 0.88 EDNRB (1.00) EDNRBEDNRA
SCHEMBL15999837 0.87 EDNRB (0.76) EDNRBEDNRANR1I2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276645-A1 Novel carboxylic acid derivatives, their preparation and use RIECHERS HARTMUT 2006-12-07 US claimed
EP-1110952-B9 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO KG (DE) 2004-12-15 EP claimed
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US claimed
US-20170079978-A1 THERAPY FOR COMPLICATIONS OF DIABETES ABBVIE DEUTSCHLAND (DE) 2017-03-23 US disclosed
US-9592231-B2 Therapy for complications of diabetes AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-14 US disclosed
US-9040698-B2 Method for preparing optically pure (+)-ambrisentan and (+)-darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20150051234-A1 THERAPY FOR COMPLICATIONS OF DIABETES ABBVIE DEUTSCHLAND (DE) 2015-02-19 US disclosed
US-8865650-B2 Therapy for complications of diabetes AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-21 US disclosed
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2014-09-04 US disclosed
EP-2768811-A1 PROCESS FOR THE PREPARATION OF AN ENDOTHELIN RECEPTOR ANTAGONIST Cipla Limited (IN) 2014-08-27 EP disclosed
US-20140073574-A1 THERAPY FOR COMPLICATIONS OF DIABETES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-13 US disclosed
EP-1110952-A1 Carboxylic acid derivates, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 2001-06-27 EP disclosed
US-6197958-B1 CYCLOPENTAPYRIMIDINE DERIVATIVES; ENDOTHELIN RECEPTOR INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0969841-A1 USE OF CARBOXYLIC ACID DERIVATIVES FOR TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-5969134-A CARDIOVASCULAR DISORDERS, VASOCONSTRICTION, HYPOTENSIVE AGENTS AND RELEASE OF ENDOTHELINS BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5932730-A Carboxylic acid derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
EP-0785926-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-07-30 EP disclosed
WO-1996011914-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-04-25 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 (6 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-20140073574-A1 THERAPY FOR COMPLICATIONS OF DIABETES EDNRA, EDNRB, GPR119 EDNRB 2/4885EDNRA 1/4885NR1I2 1002/4885
US-20150051234-A1 THERAPY FOR COMPLICATIONS OF DIABETES GPR119, ECE1, EDNRA EDNRB 5/4885EDNRA 3/4885NR1I2 935/4885
US-20170079978-A1 THERAPY FOR COMPLICATIONS OF DIABETES EDNRA, EDNRB, GPR119 EDNRB 2/4885EDNRA 1/4885NR1I2 1007/4885
US-20060276645-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, HCAR3 EDNRB 374/4885EDNRA 373/4885NR1I2 1121/4885
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan AKR1D1, AKR1C2, AKR1C1 EDNRB 47/4885EDNRA 30/4885NR1I2 2176/4885
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885NR1I2 773/4885

“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.