SCHEMBL4476622

SCHEMBL4476622

Cc1cc(C(=O)O)ccc1-n1c(C)cc(OCc2ccc(F)cc2F)cc1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.56
PTGER1 P34995 4/20 0.50
MAOB P27338 1/20 0.50
ROCK2 O75116 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
STRADA Q7RTN6 1/20 0.47
ALKBH1 Q13686 1/20 0.46
MYC P01106 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PTPN7 P35236 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL4374549 0.92 MAPK14 (0.58) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6473439 0.90 PTGER1 (0.54) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6471072 0.89 PTGER1 (0.47) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL4376549 0.85 MAPK14 (0.52) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL3523581 0.83 MAPK14 (0.51) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL4376110 0.83 MAPK14 (0.50) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL4383322 0.82 MAPK14 (0.58) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4376213 0.82 MAPK14 (0.45) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL5862287 0.82 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4382368 0.81 MAPK14 (0.56) MAPK14PTGER1MAOBROCK2MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US 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
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 MAPK14 41/4885PTGER1 170/4885MAOB 743/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885PTGER1 102/4885MAOB 560/4885

“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.