SCHEMBL4061140

SCHEMBL4061140

COc1ccccc1Oc1c(OCCO)nc(-c2ncccn2)nc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.67
EDNRB P24530 4/20 0.67
DHPS P49366 14/20 0.62
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58
NR1H3 Q13133 1/20 0.58
NR1I3 Q14994 1/20 0.58

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
SCHEMBL7700296 0.92 EDNRA (0.57) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4060083 0.91 EDNRA (0.64) EDNRAEDNRBDHPS
SCHEMBL7853937 0.91 DHPS (0.57) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4066782 0.89 DHPS (0.66) EDNRAEDNRBDHPS
SCHEMBL4061147 0.87 DHPS (0.80) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4059947 0.87 EDNRA (0.61) EDNRAEDNRBDHPS
SCHEMBL4062788 0.87 EDNRA (0.61) EDNRAEDNRB
SCHEMBL4064948 0.86 EDNRB (0.68) EDNRAEDNRB
SCHEMBL4060942 0.86 DHPS (0.56) EDNRAEDNRBDHPS
SCHEMBL15384645 0.85 EDNRA (0.67) EDNRAEDNRBDHPSABCC3ABCC4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
US-20050085639-A1 Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-04-21 US disclosed
EP-1465875-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-10-13 EP disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
WO-2003055863-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-07-10 WO disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 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 (2 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-20050085639-A1 Novel alkansulfonamides as endothelin antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885DHPS 2156/4885
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 EDNRA 1/4885EDNRB 2/4885DHPS 1235/4885

“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.