SCHEMBL4186593

SCHEMBL4186593

COc1ccc(-c2c(C(=O)O)n(Cc3cc4c(cc3Cl)OCO4)c3ccccc23)c(OCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.49
EDNRB P24530 8/20 0.49

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
SCHEMBL8900609 0.92 EDNRA (0.48) EDNRAEDNRB
SCHEMBL9023703 0.91 EDNRA (0.48) EDNRAEDNRB
SCHEMBL8902917 0.88 EDNRA (0.50) EDNRAEDNRB
SCHEMBL8902860 0.88 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8902261 0.88 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8902284 0.86 EDNRA (0.49) EDNRAEDNRB
SCHEMBL8856691 0.84 EDNRA (0.62) EDNRAEDNRB
SCHEMBL9023321 0.83 EDNRA (0.47) EDNRAEDNRB
SCHEMBL8902594 0.83 EDNRA (0.47) EDNRAEDNRB
SCHEMBL8900589 0.82 EDNRA (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP claimed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP claimed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO claimed
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy BASF AKTIENGESELLSCHAFT (DE) 2009-12-17 US disclosed
US-5686481-A INDOLE DERIVATIVES; TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
EP-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP disclosed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 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-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 EDNRA 2/4885EDNRB 1/4885

“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.