SCHEMBL7065627

SCHEMBL7065627

COc1cccc(Sc2c(C(=O)O)n(C(Cc3ccccc3)C3=COCO3)c3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.58
EDNRB P24530 14/20 0.58
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37

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
SCHEMBL7068554 0.91 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7069236 0.91 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7066032 0.89 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7071791 0.87 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7068867 0.80 EDNRB (0.54) EDNRAEDNRBTUBB4ATUBBTUBA3C
SCHEMBL7065675 0.80 EDNRB (0.58) EDNRAEDNRB
SCHEMBL7065700 0.78 EDNRB (0.58) EDNRAEDNRB
SCHEMBL7069698 0.76 EDNRB (0.52) EDNRAEDNRB
SCHEMBL7068580 0.76 EDNRB (0.34) EDNRAEDNRB
SCHEMBL6632096 0.74 EDNRA (1.00) 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 12 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
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
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 2/4885TUBB4A 4369/4885

“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.