SCHEMBL627598

SCHEMBL627598

COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.70
EDNRB P24530 11/20 0.66
ABCC3 O15438 1/20 0.55
ABCC4 O15439 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
DHPS P49366 1/20 0.55
NR1H3 Q13133 1/20 0.55
NR1I3 Q14994 1/20 0.55

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
SCHEMBL31559142 1.00 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL31559141 1.00 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
Potassium SCHEMBL31559138 0.99 EDNRA (0.69) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL629196 0.99 EDNRA (0.69) EDNRAEDNRBABCC3ABCC4NR1I2
Dimethyl Sulfoxide SCHEMBL627619 0.96 EDNRA (0.66) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7331882 0.90 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7297111 0.89 EDNRA (0.57) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7306773 0.89 EDNRA (0.57) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7295442 0.87 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7296967 0.87 EDNRA (0.57) EDNRAEDNRBABCC3ABCC4NR1I2

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
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-2010118992-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2010-10-21 WO claimed
CN-114415524-B Heuristic collaborative multi-aircraft trajectory cross analysis and conflict resolution method 中国人民解放军96901部队 2022-06-21 CN disclosed
CN-114415524-A Heuristic collaborative multi-aircraft trajectory cross analysis and conflict resolution method 中国人民解放军96901部队 2022-04-29 CN disclosed
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2012-05-31 US disclosed
EP-2419421-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) Sandoz AG (CH) 2012-02-22 EP disclosed
EP-2294056-A1 BOSENTAN SALTS Synthon B.V. (NL) 2011-03-16 EP disclosed
WO-2010118992-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2010-10-21 WO disclosed
US-20100256371-A1 PROCESSES FOR THE PREPARATION OF BOSENTAN AND ITS INTERMEDIATES THEREOF GLENMARK (IN) 2010-10-07 US disclosed
US-20090291974-A1 BOSENTAN SALTS SYNTHON BV (NL) 2009-11-26 US disclosed
US-20030087920-A1 Butyne diol derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2003-05-08 US disclosed
EP-1244637-A1 BUTYNE DIOL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2002-10-02 EP disclosed
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY 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
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 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 (4 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-20090291974-A1 BOSENTAN SALTS PDE9A, PDE7A, PDE3A EDNRA 21/4885EDNRB 19/4885ABCC3 4013/4885
US-20100256371-A1 PROCESSES FOR THE PREPARATION OF BOSENTAN AND ITS INTERMEDIATES THEREOF PTGIS, EDNRB, CYP11B2 EDNRA 6/4885EDNRB 2/4885ABCC3 2547/4885
US-20030087920-A1 Butyne diol derivatives BDKRB2, EDNRB, EDNRA EDNRA 3/4885EDNRB 2/4885ABCC3 1351/4885
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) EDNRA, EDNRB, TBXA2R EDNRA 1/4885EDNRB 2/4885ABCC3 1800/4885

“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.