SCHEMBL7066032

SCHEMBL7066032

CCCOc1ccc2c(Sc3cccc(OC)c3)c(C(=O)O)n(C(Cc3ccccc3)C3=COCO3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 15/20 0.59
EDNRB P24530 13/20 0.59
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL7065627 0.89 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7068554 0.87 EDNRA (0.60) EDNRAEDNRBTP53
SCHEMBL7069236 0.86 EDNRA (0.60) EDNRAEDNRBTP53
SCHEMBL7071791 0.84 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7068867 0.76 EDNRB (0.54) EDNRAEDNRB
SCHEMBL7065675 0.76 EDNRB (0.58) EDNRAEDNRB
SCHEMBL7066028 0.74 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7065700 0.74 EDNRB (0.58) EDNRAEDNRB
SCHEMBL7069698 0.74 EDNRB (0.52) EDNRAEDNRBPOLB
SCHEMBL7069377 0.70 EDNRB (0.39) 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 11 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-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP claimed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO 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
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP disclosed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO disclosed
EP-0790993-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-08-27 EP 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 EDNRA 1/4885EDNRB 2/4885TP53 4759/4885

“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.