SCHEMBL6782815

SCHEMBL6782815

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(C)nc1OCC#CCOc1ncccn1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.73
EDNRB P24530 18/20 0.73

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
SCHEMBL6780649 0.92 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6786486 0.92 EDNRA (0.66) EDNRAEDNRB
SCHEMBL6783560 0.92 EDNRA (0.87) EDNRAEDNRB
SCHEMBL6789102 0.91 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6784072 0.90 EDNRA (0.86) EDNRAEDNRB
SCHEMBL6785432 0.87 EDNRA (0.81) EDNRAEDNRB
SCHEMBL6782780 0.86 EDNRB (0.82) EDNRAEDNRB
SCHEMBL6782818 0.85 EDNRA (0.60) EDNRAEDNRB
SCHEMBL6780541 0.85 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7200221 0.85 EDNRA (0.64) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720322-B2 USE AS ENDOTHELIN RECEPTOR ANTAGONISTS. ACTELION PHARAMCEUTICALS LTD. (CH) 2004-04-13 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-2001046156-A1 BUTYNE DIOL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-06-28 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-20030087920-A1 Butyne diol derivatives BDKRB2, EDNRB, EDNRA EDNRA 3/4885EDNRB 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.