SCHEMBL4654065

SCHEMBL4654065

O=C(O)COc1ccc(SCCCc2cc3ccc(C(F)(F)F)cc3s2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.45
PPARD Q03181 15/20 0.43
PPARA Q07869 5/20 0.42
PPARG P37231 2/20 0.42

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
SCHEMBL14016176 0.92 PPARD (0.37) PTGDR2PPARDPPARAPPARG
SCHEMBL4654294 0.90 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL4654267 0.89 PTGDR2 (0.48) PTGDR2PPARDPPARAPPARG
SCHEMBL14449267 0.89 PTGDR2 (0.38) PTGDR2PPARDPPARAPPARG
SCHEMBL4654002 0.81 PPARD (0.46) PTGDR2PPARDPPARAPPARG
SCHEMBL14449265 0.80 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL14449266 0.80 PPARD (0.41) PTGDR2PPARDPPARAPPARG
SCHEMBL4654029 0.80 PPARD (0.45) PTGDR2PPARDPPARAPPARG
SCHEMBL3534420 0.76 PPARD (0.49) PTGDR2PPARDPPARAPPARG
SCHEMBL3539139 0.73 PPARD (0.42) PTGDR2PPARDPPARAPPARG

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
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP claimed
JP-2007522178-A 2007-08-09 JP claimed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US claimed
EP-1740568-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORPORATION (US) 2007-01-10 EP claimed
WO-2005077926-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO claimed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
EP-1740568-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORPORATION (US) 2007-01-10 EP disclosed
WO-2005077926-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease ABAT, BPTF, TNNT2 PTGDR2 2378/4885PPARD 47/4885PPARA 115/4885

“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.