SCHEMBL4476683

SCHEMBL4476683

O=C(N[C@@H](Cn1ccc(OCc2ccccc2)cc1=O)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.56
MCHR1 Q99705 5/20 0.48
IDO1 P14902 1/20 0.47
CASP1 P29466 2/20 0.46
CTSK P43235 3/20 0.46
TYR P14679 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43

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
SCHEMBL4476682 1.00 MAPK14 (0.56) MAPK14MCHR1IDO1CASP1CTSK
SCHEMBL4479237 0.90 MAPK14 (0.55) MAPK14MCHR1
SCHEMBL4479241 0.90 MAPK14 (0.55) MAPK14MCHR1
SCHEMBL4470529 0.84 MAPK14 (0.55) MAPK14MCHR1
SCHEMBL4470531 0.84 MAPK14 (0.55) MAPK14MCHR1
SCHEMBL3525313 0.82 TYR (0.45) IDO1CASP1CTSKTYRCTSL
SCHEMBL3525311 0.82 TYR (0.45) IDO1CASP1CTSKTYRCTSL
SCHEMBL4045555 0.75 MAPK14 (0.72) MAPK14MCHR1
SCHEMBL4048508 0.73 MAPK14 (0.65) MAPK14MCHR1
SCHEMBL4280674 0.73 CASP1 (0.67) CASP1

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 41/4885MCHR1 3346/4885IDO1 1657/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885MCHR1 3032/4885IDO1 1267/4885

“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.