SCHEMBL618135

SCHEMBL618135

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.58
EDNRA P25101 6/20 0.46
EDNRB P24530 2/20 0.46

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
SCHEMBL29770374 1.00 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL7795451 0.91 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL1257596 0.90 DHPS (0.52) DHPSEDNRAEDNRB
SCHEMBL4064097 0.90 DHPS (0.74) DHPS
SCHEMBL3227293 0.90 DHPS (0.51) DHPSEDNRAEDNRB
SCHEMBL9423908 0.87 LMNA (0.55) DHPS
SCHEMBL7300009 0.86 DHPS (0.51) DHPSEDNRA
SCHEMBL4062097 0.86 DHPS (0.51) DHPSEDNRAEDNRB
SCHEMBL13430565 0.85 DHPS (0.43) DHPSEDNRAEDNRB
SCHEMBL7787027 0.85 EDNRA (0.53) DHPSEDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907275-A Preparation method of bosentan 武汉工程大学 2022-08-16 CN claimed
EP-2603497-B1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA P LTD (IN) 2018-08-08 EP claimed
US-20130296560-A1 Novel Process For Preparation Of Bosentan MEGAFINE PHARMA (P) LTD. (IN) 2013-11-07 US claimed
EP-2603497-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN Megafine Pharma (P) Ltd. (IN) 2013-06-19 EP claimed
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2012-05-31 US claimed
EP-2419421-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) Sandoz AG (CH) 2012-02-22 EP claimed
WO-2012020421-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA (P) LTD. (IN) 2012-02-16 WO claimed
US-20110263623-A1 PROCESS FOR PREPARATION OF BOSENTAN CADILA HEALTHCARE LIMITED (IN) 2011-10-27 US claimed
EP-2331513-A1 PROCESS FOR PREPARATION OF BOSENTAN Cadila Healthcare Limited (IN) 2011-06-15 EP claimed
WO-2010118992-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2010-10-21 WO claimed
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
EP-0841326-B1 Process for the preparation of pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2001-05-16 EP claimed
US-6121447-A STARTING WITH 2-CYANOPYRIMIDINE, WHICH IS PREPARED BY REACTING 2-CHLOROPYRIMIDINE WITH AN ALKALI CYANIDE IN THE PRESENCE OF 1-AZABICYCLO(2,2,2)OCTANE OR 1,4-DIAZABICYCLO(2,2,2)OCTANE HOFFMANN-LA ROCHE INC. (US) 2000-09-19 US claimed
EP-0841326-A1 Process for the preparation of pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP claimed
CN-114605337-B Preparation method of high-purity bosentan 重庆医药高等专科学校 2024-03-12 CN disclosed
CN-114605337-B Preparation method of high-purity bosentan 重庆医药高等专科学校 2024-03-12 CN disclosed
EP-0601386-A1 Sulphonamides F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP 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 DHPS 5/4885EDNRA 146/4885EDNRB 13/4885
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) EDNRA, EDNRB, TBXA2R DHPS 400/4885EDNRA 1/4885EDNRB 2/4885
US-20130296560-A1 Novel Process For Preparation Of Bosentan BMP6, EDNRB, PAH DHPS 153/4885EDNRA 9/4885EDNRB 2/4885

“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.