SCHEMBL3456048

SCHEMBL3456048

CC(C)n1cc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)O)c2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.37
▸ CYP2C9 P11712 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ CXCR2 P25025 2/20 0.32
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ CMA1 P23946 2/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL14498591 0.88 TSHR (0.39) CYP2C9GRIN1GRIN2B
SCHEMBL3456353 0.87 PTGDR2 (0.39) PTGDR2CXCR2GRIN1GRIN2BCMA1
SCHEMBL3456716 0.86 PTGDR2 (0.39) PTGDR2CXCR2
SCHEMBL3456552 0.82 ALDH1A1 (0.39) PTGDR2CXCR2HDAC6
SCHEMBL3456655 0.80 ADORA1 (0.43) PTGDR2CXCR2HDAC6
SCHEMBL2804576 0.79 CYP2C9 (0.40) PTGDR2CYP2C9
SCHEMBL3455950 0.79 PTGDR2 (0.40) PTGDR2
SCHEMBL3462977 0.79 CXCR2 (0.36) PTGDR2CYP2C9CXCR2HDAC6
SCHEMBL3456383 0.77 GLA (0.46) PTGDR2
SCHEMBL14498582 0.76 TSHR (0.41) CYP2C9GRIN1GRIN2B

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
EP-2258688-B1 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM LTD (GB) 2012-11-21 — — EP disclosed
EP-2258688-A1 Pyridinone derivatives for treatment of atherosclerosis SmithKline Beecham Limited (GB) 2010-12-08 — — EP disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 — — US disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 — — US disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 — — US disclosed
US-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis GLAXO GROUP LIMITED (GB) 2005-01-20 — — 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 (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-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLA2G7, PLA2G4B PTGDR2 167/4885CYP2C9 1138/4885PTGDR 203/4885

“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.

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