SCHEMBL6865530

SCHEMBL6865530

CCCCc1ccc(S(=O)(=O)Nc2nc(-c3ncccn3)nc(OCCO)c2Oc2ccccc2OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.80
EDNRB P24530 6/20 0.75
ABCC3 O15438 1/20 0.75
ABCC4 O15439 1/20 0.75
NR1I2 O75469 1/20 0.75
ABCB11 O95342 1/20 0.75
DHPS P49366 1/20 0.75
NR1H3 Q13133 1/20 0.75
NR1I3 Q14994 1/20 0.75

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
SCHEMBL13281278 0.89 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7945356 0.89 EDNRA (0.61) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8321906 0.88 EDNRA (0.88) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL16900667 0.88 EDNRA (0.88) EDNRAEDNRBABCC3ABCC4NR1I2
Water SCHEMBL1009968 0.88 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL12238205 0.88 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1723227 0.88 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1258816 0.86 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL3981779 0.86 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL13068510 0.86 EDNRA (0.84) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011117143-A1 PROCESS FOR THE PREPARATION OF BOSENTAN LABORATORIOS LESVI, S.L. (ES) 2011-09-29 WO disclosed
EP-2368884-A1 Process for the preparation of bosentan Laboratorios Lesvi, S.L. (ES) 2011-09-28 EP disclosed
WO-2011021216-A2 IMPROVED PROCESS FOR THE PREPARATION OF 4-(1,1-DIMETHYLETHYL)-N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)[2,2'-BIPYRIMIDIN]-4-YL]BENZENESULFONAMIDE MSN LABORATORIES LIMITED (IN) 2011-02-24 WO disclosed
WO-2010015623-A1 PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS FARMAPROJECTS, S. A. (ES) 2010-02-11 WO disclosed
WO-2010012637-A1 PROCESS FOR THE PREPARATION OF BOSENTAN INKE, S.A. (ES) 2010-02-04 WO disclosed
US-20090258075-A1 Respiratory Drug Condensation Aerosols and Methods of Making and Using Them ALEXZA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
WO-2009095933-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN LABORATORIES LIMITED (IN) 2009-08-06 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 (1 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-20090258075-A1 Respiratory Drug Condensation Aerosols and Methods of Making and Using Them LTC4S, PTGER1, PTGES EDNRA 302/4885EDNRB 239/4885ABCC3 574/4885

“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.