SCHEMBL3456935

SCHEMBL3456935

CC(=O)SCc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
BCHE P06276 1/20 0.41
CXCR2 P25025 6/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
GFER P55789 1/20 0.37
LPL P06858 1/20 0.37
LIPC P11150 1/20 0.37
MAOB P27338 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3906398 0.80 HTR2A (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL14611610 0.78 MME (0.41) SMN1; SMN2
SCHEMBL7440830 0.76 NLRP3 (0.35) KDM4EPKMGFERLPLLIPC
SCHEMBL11205828 0.76 RIPK1 (0.46) RIPK1CES2CES1BCHEKDM4E
Bromide SCHEMBL3595630 0.74 BACE1 (0.55) SMN1; SMN2
SCHEMBL20090412 0.73 RIPK1 (0.44) RIPK1CES2CES1BCHEP2RX7
SCHEMBL16070965 0.73 IAPP (0.56) RIPK1CES2CES1BCHECXCR2
SCHEMBL31503473 0.72 BACE1 (0.62) KDM4EGFERSMN1; SMN2MEN1KMT2A
SCHEMBL266645 0.72 RIPK1 (0.49) RIPK1CES2CES1BCHECXCR2
SCHEMBL31675131 0.72 RIPK1 (0.49) RIPK1CES2CES1BCHECXCR2

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 10 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-1326841-B1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM LTD (GB) 2011-12-21 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
EP-1326841-A1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SmithKline Beecham P.L.C. (GB) 2003-07-16 EP disclosed
WO-2002030904-A1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO 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 RIPK1 2491/4885CES2 1968/4885CES1 219/4885
US-20040063753-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLPBP, PLAA RIPK1 2260/4885CES2 636/4885CES1 162/4885

“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.