SCHEMBL4066782

SCHEMBL4066782

COc1ccccc1Oc1c(OCCO)nc(-c2ccncc2)nc1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.66
EDNRA P25101 6/20 0.54
EDNRB P24530 4/20 0.54

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
SCHEMBL2640202 0.90 EDNRA (0.52) DHPSEDNRAEDNRB
SCHEMBL4061140 0.89 EDNRA (0.67) DHPSEDNRAEDNRB
SCHEMBL4066788 0.88 DHPS (0.85) DHPSEDNRAEDNRB
SCHEMBL4060909 0.88 EDNRB (0.63) DHPSEDNRAEDNRB
SCHEMBL6584269 0.87 DHPS (0.62) DHPSEDNRAEDNRB
SCHEMBL7979324 0.86 DHPS (0.50) DHPSEDNRAEDNRB
SCHEMBL4060942 0.86 DHPS (0.56) DHPSEDNRAEDNRB
SCHEMBL7993509 0.86 DHPS (0.49) DHPSEDNRAEDNRB
SCHEMBL7853937 0.85 DHPS (0.57) DHPSEDNRAEDNRB
SCHEMBL6584032 0.85 DHPS (0.55) 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 6 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-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO 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 (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-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 DHPS 1235/4885EDNRA 1/4885EDNRB 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.