SCHEMBL4386904

SCHEMBL4386904

Cc1cc(Oc2ccc(F)cc2F)c(Br)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.47
EPAS1 Q99814 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
BRD4 O60885 11/20 0.40
HSPB1 P04792 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL4380696 0.79 MAPK14 (0.56)
SCHEMBL10456772 0.72 TRPA1 (0.56) TRPA1EPAS1HSPB1
SCHEMBL16738736 0.70 EPAS1 (0.49) TRPA1EPAS1PTGS1PTGS2BRD4
SCHEMBL20384414 0.69 EPAS1 (0.55) TRPA1EPAS1HSPB1NPBWR1MCHR1
SCHEMBL20160295 0.69 EPAS1 (0.44) TRPA1EPAS1HSPB1
SCHEMBL20660081 0.69 PTGS2 (0.49) TRPA1PTGS1PTGS2BRD4HSPB1
SCHEMBL5202525 0.69 MAPK14 (0.45) TRPA1EPAS1BRD4HSPB1
SCHEMBL25192930 0.68 EPAS1 (0.41) EPAS1BRD4HSPB1
SCHEMBL21652789 0.67 TRPA1 (0.44) TRPA1EPAS1HSPB1
SCHEMBL13635334 0.67 MAPK14 (0.47)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 TRPA1 3147/4885EPAS1 2400/4885PTGS1 77/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 TRPA1 2287/4885EPAS1 2597/4885PTGS1 85/4885

“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.