SCHEMBL3455950

SCHEMBL3455950

COc1ccc(Cn2cc3c(=O)cc(CCc4cccc(F)c4F)n(CC(=O)O)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.40
▸ MAPT P10636 2/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ADORA2B P29275 1/20 0.35
▸ MARK4 Q96L34 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL7213616 0.91 RXFP1 (0.40) MAPTTP53RXFP1KMT2AMEN1
SCHEMBL3456716 0.85 PTGDR2 (0.39) PTGDR2
SCHEMBL3456552 0.85 ALDH1A1 (0.39) PTGDR2TP53
SCHEMBL3456353 0.81 PTGDR2 (0.39) PTGDR2
SCHEMBL3456048 0.79 PTGDR2 (0.37) PTGDR2
SCHEMBL14498590 0.77 TSHR (0.40) KMT2AMEN1
SCHEMBL3456655 0.76 ADORA1 (0.43) PTGDR2KMT2A
SCHEMBL2804576 0.76 CYP2C9 (0.40) PTGDR2MAPTTP53RXFP1KMT2A
SCHEMBL14498592 0.75 TSHR (0.38) MAPTTP53KMT2AMEN1
SCHEMBL3462977 0.75 CXCR2 (0.36) PTGDR2

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 PTGDR2 167/4885MAPT 4541/4885ADORA3 959/4885
US-20040063753-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLPBP, PLAA PTGDR2 175/4885MAPT 3705/4885ADORA3 1105/4885

“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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