SCHEMBL956388

SCHEMBL956388

CCOC(=O)CC(=O)CCc1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
NLRP3 Q96P20 3/20 0.47
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RIPK1 Q13546 1/20 0.39
IAPP P10997 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL956957 0.89 CYP4F2 (0.54) CYP4F2CYP4A11NLRP3ALDH1A1GAA
SCHEMBL3456260 0.82 RIPK1 (0.41) RIPK1IAPP
SCHEMBL28159137 0.80 IAPP (0.46) ALDH1A1KMT2ARIPK1IAPPTAAR1
SCHEMBL12602245 0.80 CYP4F2 (0.56) CYP4F2CYP4A11NLRP3ALDH1A1GAA
SCHEMBL6356007 0.79 MMP12 (0.46) ALDH1A1KMT2ASMN1; SMN2RIPK1IAPP
SCHEMBL5009319 0.79 NLRP3 (0.50) CYP4F2CYP4A11NLRP3ALDH1A1KMT2A
SCHEMBL4468837 0.78 KMT2A (0.53) NLRP3ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL956095 0.77 CYP4F2 (0.54) CYP4F2CYP4A11NLRP3ALDH1A1GAA
SCHEMBL957050 0.77 CYP4F2 (0.54) CYP4F2CYP4A11NLRP3ALDH1A1GAA
SCHEMBL15334186 0.77 L3MBTL1 (0.52) CYP4F2CYP4A11NLRP3ALDH1A1GAA

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 12 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
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
EP-2258688-A1 Pyridinone derivatives for treatment of atherosclerosis SmithKline Beecham Limited (GB) 2010-12-08 EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 WO 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 (3 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 CYP4F2 279/4885CYP4A11 684/4885NLRP3 1401/4885
US-20040063753-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLPBP, PLAA CYP4F2 157/4885CYP4A11 872/4885NLRP3 2269/4885
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 CYP4F2 1678/4885CYP4A11 1251/4885NLRP3 859/4885

“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.