SCHEMBL1067551

SCHEMBL1067551

COc1cc(OC)nc(OC(C(=O)O)C(c2ccccc2)(c2ccccc2)[S+](C)[O-])n1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.73
EDNRA P25101 20/20 0.73
NR1I2 O75469 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL9369015 0.82 EDNRB (0.76) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL6776490 0.82 EDNRB (0.76) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9051708 0.81 EDNRB (0.75) EDNRBEDNRANR1I2KCNE1KCNQ1
Darusentan SCHEMBL1068546 0.81 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Darusentan SCHEMBL795084 0.81 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL6776058 0.79 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL12228356 0.79 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL8115354 0.79 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL1067548 0.78 EDNRB (0.70) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL6710282 0.77 EDNRB (0.68) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317044-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2013-11-28 US disclosed
US-8349843-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2013-01-08 US disclosed
US-20120088911-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2012-04-12 US disclosed
US-20110178294-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2011-07-21 US disclosed
US-RE42477-E1 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-21 US disclosed
US-RE42462-E1 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-14 US disclosed
US-7863445-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-01-04 US disclosed
US-20100076188-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-03-25 US disclosed
US-7601730-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2009-10-13 US disclosed
US-7582647-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2009-09-01 US disclosed
EP-1110952-B1 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO KG (DE) 2004-09-29 EP disclosed
US-20040092742-A1 Novel carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG 2004-05-13 US disclosed
US-6600043-B2 Pyramidine or triazine derivatives which specifically inhibit the binding of endothelin to the receptor BASF AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-05-02 US disclosed
EP-0785926-B1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BASF AG (DE) 2001-08-22 EP 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
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

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-20120088911-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 EDNRB 354/4885EDNRA 272/4885NR1I2 1229/4885
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 EDNRB 858/4885EDNRA 602/4885NR1I2 960/4885
US-20130317044-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 EDNRB 359/4885EDNRA 313/4885NR1I2 1087/4885
US-20040092742-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 EDNRB 858/4885EDNRA 602/4885NR1I2 960/4885
US-20100076188-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 EDNRB 359/4885EDNRA 313/4885NR1I2 1087/4885
US-20110178294-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 EDNRB 359/4885EDNRA 313/4885NR1I2 1087/4885

“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.