SCHEMBL1937757

SCHEMBL1937757

COc1ccccc1Oc1c(O)nc(-c2ncccn2)nc1O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.49
EDNRB P24530 3/20 0.49
CYP19A1 P11511 1/20 0.43
DHPS P49366 1/20 0.43

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
SCHEMBL1257596 0.90 DHPS (0.52) EDNRAEDNRBDHPS
SCHEMBL9423634 0.87 FFAR1 (0.51)
SCHEMBL7296266 0.86 DHPS (0.43) EDNRAEDNRBCYP19A1DHPS
SCHEMBL7942227 0.84 HPGD (0.45) EDNRAEDNRBCYP19A1
SCHEMBL28568819 0.83 DHPS (0.59) DHPS
SCHEMBL4061462 0.82 DHPS (0.49) EDNRAEDNRBDHPS
SCHEMBL7483960 0.82 HTT (0.48) DHPS
SCHEMBL618135 0.81 DHPS (0.58) EDNRAEDNRBDHPS
SCHEMBL29770374 0.81 DHPS (0.58) EDNRAEDNRBDHPS
SCHEMBL7694584 0.80 EDNRB (0.44) EDNRAEDNRBDHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240470-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN Laboratories Limited (IN) 2010-10-20 EP claimed
WO-2009095933-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN LABORATORIES LIMITED (IN) 2009-08-06 WO claimed
US-20140275535-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2014-09-18 US disclosed
US-20140275535-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2014-09-18 US disclosed
US-20140275535-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2014-09-18 US disclosed
EP-2768812-A1 ACID ADDITION SALTS OF BOSENTAN Biocon Limited (IN) 2014-08-27 EP disclosed
WO-2013057545-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2013-04-25 WO disclosed
WO-2013057545-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2013-04-25 WO disclosed
US-20110263623-A1 PROCESS FOR PREPARATION OF BOSENTAN CADILA HEALTHCARE LIMITED (IN) 2011-10-27 US disclosed
US-20110263623-A1 PROCESS FOR PREPARATION OF BOSENTAN CADILA HEALTHCARE LIMITED (IN) 2011-10-27 US disclosed
US-20110263623-A1 PROCESS FOR PREPARATION OF BOSENTAN CADILA HEALTHCARE LIMITED (IN) 2011-10-27 US disclosed
US-20030087920-A1 Butyne diol derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2003-05-08 US disclosed
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed
EP-1244637-A1 BUTYNE DIOL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2002-10-02 EP disclosed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO disclosed
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001046156-A1 BUTYNE DIOL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-06-28 WO disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 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 (3 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-20110263623-A1 PROCESS FOR PREPARATION OF BOSENTAN CYP2D6, CYP3A5, QDPR EDNRA 146/4885EDNRB 13/4885CYP19A1 1620/4885
US-20030087920-A1 Butyne diol derivatives BDKRB2, EDNRB, EDNRA EDNRA 3/4885EDNRB 2/4885CYP19A1 269/4885
US-20140275535-A1 ACID ADDITION SALTS OF BOSENTAN NCLN, EDNRB, EDNRA EDNRA 3/4885EDNRB 2/4885CYP19A1 1507/4885

“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.