SCHEMBL3456716

SCHEMBL3456716

CCn1cc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 12/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ CXCR2 P25025 2/20 0.33
▸ AKR1A1 P14550 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL14498590 0.89 TSHR (0.40) L3MBTL1PDE10AALDH1A1POLBNPSR1
SCHEMBL3456353 0.88 PTGDR2 (0.39) PTGDR2CXCR2
SCHEMBL3456552 0.88 ALDH1A1 (0.39) PTGDR2PDE10ACXCR2ALDH1A1
SCHEMBL3456048 0.86 PTGDR2 (0.37) PTGDR2CXCR2
SCHEMBL3455950 0.85 PTGDR2 (0.40) PTGDR2
SCHEMBL3456655 0.80 ADORA1 (0.43) PTGDR2CXCR2
SCHEMBL2804576 0.80 CYP2C9 (0.40) PTGDR2
SCHEMBL14498592 0.80 TSHR (0.38) L3MBTL1PDE10ACXCR2ALDH1A1POLB
SCHEMBL3462977 0.79 CXCR2 (0.36) PTGDR2CXCR2AKR1B1
SCHEMBL14498582 0.79 TSHR (0.41) L3MBTL1ALDH1A1POLBNPSR1

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 7 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
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 167/4885L3MBTL1 4276/4885PDE10A 1343/4885
US-20040063753-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLPBP, PLAA PTGDR2 175/4885L3MBTL1 2666/4885PDE10A 1273/4885

“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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