SCHEMBL7065675

SCHEMBL7065675

COc1ccc(Sc2c(C(=O)O)n(C(Cc3ccccc3)C3=COCO3)c3cc4c(cc23)OCO4)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.58
EDNRA P25101 18/20 0.58
CTSD P07339 2/20 0.38

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
SCHEMBL7065700 0.92 EDNRB (0.58) EDNRBEDNRA
SCHEMBL7069236 0.89 EDNRA (0.60) EDNRBEDNRA
SCHEMBL7068867 0.87 EDNRB (0.54) EDNRBEDNRA
SCHEMBL7068554 0.85 EDNRA (0.60) EDNRBEDNRA
SCHEMBL7069698 0.83 EDNRB (0.52) EDNRBEDNRA
SCHEMBL7071791 0.82 EDNRA (0.62) EDNRBEDNRA
SCHEMBL7065627 0.80 EDNRA (0.58) EDNRBEDNRA
SCHEMBL7065436 0.79 EDNRB (0.38) EDNRBEDNRA
SCHEMBL7069377 0.79 EDNRB (0.39) EDNRBEDNRA
SCHEMBL7066032 0.76 EDNRA (0.59) EDNRBEDNRA

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
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US claimed
EP-0790993-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-08-27 EP claimed
WO-1996015125-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-05-23 WO claimed
US-5482960-A Nonpeptide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1996-01-09 US claimed
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US disclosed
WO-1996015125-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-05-23 WO disclosed
US-5482960-A Nonpeptide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1996-01-09 US 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-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885CTSD 1801/4885

“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.