SCHEMBL3456512

SCHEMBL3456512

O=C(O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PTGDR2 Q9Y5Y4 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL14498587 0.87 KMT2A (0.48) PLA2G7THRBMAPTTP53MEN1
SCHEMBL2804576 0.84 CYP2C9 (0.40) MAPTTP53MEN1KMT2APTGDR2
SCHEMBL3456892 0.83 PLA2G7 (0.49) PLA2G7THRBHPGDKMT2APTGDR2
SCHEMBL3456435 0.82 PLA2G7 (0.39) PLA2G7HPGDMEN1KMT2APTGDR2
SCHEMBL3456442 0.80 PTGDR2 (0.43) PLA2G7HPGDPTGDR2
SCHEMBL6353594 0.79 PLA2G7 (0.41) PLA2G7HPGDMEN1KMT2APTGDR2
SCHEMBL14498596 0.79 CXCR2 (0.37) PLA2G7HPGDPTGDR2ALDH1A1LMNA
SCHEMBL2807725 0.76 CYP2C9 (0.55) MAPTMEN1KMT2APTGDR2LMNA
SCHEMBL3457127 0.75 FABP3 (0.39) PLA2G7MEN1KMT2APTGDR2CYP2C9
SCHEMBL3456446 0.75 FEN1 (0.41) PLA2G7TP53HPGDPTGDR2ALDH1A1

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 PLA2G7 2/4885THRB 3534/4885MAPT 4541/4885

“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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