SCHEMBL3456552

SCHEMBL3456552

COCCn1cc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTGDR2 Q9Y5Y4 6/20 0.37
▸ CXCR2 P25025 2/20 0.35
▸ RIPK1 Q13546 2/20 0.34
▸ PLA2G7 Q13093 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL14498592 0.90 TSHR (0.38) ALDH1A1HTTCXCR2RIPK1PLA2G7
SCHEMBL3456716 0.88 PTGDR2 (0.39) ALDH1A1PTGDR2CXCR2PDE10A
SCHEMBL3456353 0.86 PTGDR2 (0.39) PTGDR2CXCR2HDAC6
SCHEMBL3455950 0.85 PTGDR2 (0.40) PTGDR2TP53
SCHEMBL3456048 0.82 PTGDR2 (0.37) PTGDR2CXCR2HDAC6
SCHEMBL14498590 0.80 TSHR (0.40) ALDH1A1PDE10A
SCHEMBL3456655 0.79 ADORA1 (0.43) PTGDR2CXCR2HDAC6
SCHEMBL2804576 0.78 CYP2C9 (0.40) PTGDR2TP53
SCHEMBL3462977 0.78 CXCR2 (0.36) PTGDR2CXCR2PLA2G7HDAC6
SCHEMBL14498582 0.77 TSHR (0.41) ALDH1A1

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 ALDH1A1 529/4885HTT 4690/4885PTGDR2 167/4885

“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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