SCHEMBL4846059

SCHEMBL4846059

O=[C]CCc1ccc(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
CA2 P00918 1/20 0.33
P2RX7 Q99572 6/20 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
SCHEMBL3237766 0.88 RIPK1 (0.33) RIPK1CES2CES1CA2
SCHEMBL4846504 0.82 TAAR1 (0.38) RIPK1CES2CES1
SCHEMBL3243936 0.80 CES2 (0.38) RIPK1CES2CES1CA2P2RX7
SCHEMBL4846950 0.77 CES2 (0.32) CES2CES1
SCHEMBL4847571 0.73 DAO (0.46)
SCHEMBL97860 0.73 PSEN1 (0.41) RIPK1CES2CES1
SCHEMBL6965983 0.73 TAAR1 (0.50)
SCHEMBL5538107 0.72 TAAR1 (0.56)
SCHEMBL1241765 0.71 CES2 (0.38) RIPK1CES2CES1CA2P2RX7
SCHEMBL3648503 0.71 RIPK1 (0.34) RIPK1CES2CES1CA2P2RX7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B RIPK1 3225/4885CES2 1956/4885CES1 267/4885

“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.