SCHEMBL4059948

SCHEMBL4059948

COc1cc(OC)nc(OCCOc2nc(-c3ncccn3)nc(N)c2Oc2ccccc2OC)n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.63
DHPS P49366 13/20 0.57
EDNRB P24530 6/20 0.56

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
SCHEMBL4060092 0.90 EDNRB (0.67) EDNRADHPSEDNRB
SCHEMBL4059947 0.87 EDNRA (0.61) EDNRADHPSEDNRB
SCHEMBL4062792 0.85 EDNRB (0.63) EDNRADHPSEDNRB
SCHEMBL7700301 0.84 DHPS (0.64) EDNRADHPSEDNRB
SCHEMBL4064951 0.84 EDNRB (0.70) EDNRADHPSEDNRB
SCHEMBL4061147 0.83 DHPS (0.80) EDNRADHPSEDNRB
SCHEMBL5107964 0.82 EDNRB (0.64) EDNRADHPSEDNRB
SCHEMBL7209693 0.81 DHPS (0.58) DHPS
SCHEMBL8323076 0.80 DHPS (0.56) EDNRADHPSEDNRB
SCHEMBL4060083 0.77 EDNRA (0.64) EDNRADHPSEDNRB

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 5 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-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 EDNRA 1/4885DHPS 1235/4885EDNRB 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.