SCHEMBL3462977

SCHEMBL3462977

O=C(O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2c[nH]nc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.36
▸ PTGDR2 Q9Y5Y4 5/20 0.35
▸ HSP90AA1 P07900 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ PLA2G7 Q13093 1/20 0.32
▸ AKR1B1 P15121 3/20 0.32
▸ AKR1B10 O60218 2/20 0.32
▸ GYS1 P13807 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALKBH1 Q13686 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
SCHEMBL7213388 0.88 TSHR (0.41) CYP2C9
SCHEMBL2804576 0.82 CYP2C9 (0.40) PTGDR2CYP2C9
SCHEMBL3456655 0.81 ADORA1 (0.43) CXCR2PTGDR2HDAC6
SCHEMBL3456353 0.81 PTGDR2 (0.39) CXCR2PTGDR2HDAC6
SCHEMBL3456383 0.80 GLA (0.46) PTGDR2
SCHEMBL3456716 0.79 PTGDR2 (0.39) CXCR2PTGDR2AKR1B1
SCHEMBL3456048 0.79 PTGDR2 (0.37) CXCR2PTGDR2HDAC6CYP2C9
SCHEMBL3456552 0.78 ALDH1A1 (0.39) CXCR2PTGDR2HDAC6PLA2G7
SCHEMBL6359581 0.77 PTGDR2 (0.38) CXCR2PTGDR2AKR1B1
SCHEMBL3456604 0.77 PTGDR2 (0.38) CXCR2PTGDR2AKR1B1

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
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-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis GLAXO GROUP LIMITED (GB) 2005-01-20 — — US disclosed
US-20040063753-A1 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-01 — — 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-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLA2G7, PLA2G4B CXCR2 3318/4885PTGDR2 167/4885HSP90AA1 4470/4885
US-20040063753-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLPBP, PLAA CXCR2 3185/4885PTGDR2 175/4885HSP90AA1 4677/4885

“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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