SCHEMBL4710152

SCHEMBL4710152

CCC(=O)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TRPA1 O75762 2/20 0.42
CYP1A2 P05177 1/20 0.41
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
PTGS2 P35354 1/20 0.40
RORC P51449 3/20 0.39
CTSS P25774 1/20 0.39
CNR2 P34972 1/20 0.39
ITGA4 P13612 3/20 0.39
ITGB1 P05556 2/20 0.39
RORB Q92753 1/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL1162543 0.83 CES2 (0.56) CES2CES1TRPA1ALDH1A1TDP1
SCHEMBL24450915 0.83 CA9 (0.44) POLBMAPK1ALDH1A1
SCHEMBL2096065 0.83 CES2 (0.44) CES2CES1TRPA1STIM1ORAI1
SCHEMBL15462868 0.81 TYK2 (0.50) PTGS2RORCCTSSITGA4ITGB1
SCHEMBL716995 0.80 CES2 (0.48) CES2CES1TRPA1STIM1ORAI1
SCHEMBL30313345 0.80 CES2 (0.48) CES2CES1TRPA1STIM1ORAI1
SCHEMBL13753076 0.79 CNR2 (0.48) CES2CES1TRPA1CYP1A2STIM1
SCHEMBL26657525 0.79 CES2 (0.47) CES2CES1STIM1ORAI1PTGS2
SCHEMBL15869863 0.78 NLRP3 (0.39) TRPA1CYP1A2STIM1ORAI1ITGA4
SCHEMBL503596 0.78 CES2 (0.50) CES2CES1STIM1ORAI1PTGS2

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 4 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 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 CES2 484/4885CES1 114/4885TRPA1 868/4885

“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.