SCHEMBL4987789

SCHEMBL4987789

CCC(CCCc1cccc(OC(F)(F)F)c1OC(F)(F)F)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.42
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
EPHX2 P34913 5/20 0.35
PPARA Q07869 5/20 0.33
PPARD Q03181 2/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32
GRIK1 P39086 2/20 0.31
LNPEP Q9UIQ6 1/20 0.30
SCN9A Q15858 1/20 0.30
GRIK2 Q13002 1/20 0.30

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
SCHEMBL4992641 0.94 PPARG (0.43) PPARGALOX5PTGESEPHX2PPARA
SCHEMBL4989910 0.91 PPARG (0.37) PPARGEPHX2PPARAPPARDGRIK1
SCHEMBL4991173 0.91 PPARG (0.48) PPARGALOX5PTGESEPHX2PPARA
SCHEMBL4987288 0.88 PPARG (0.39) PPARGALOX5PTGESEPHX2PPARA
SCHEMBL4984438 0.88 PPARG (0.40) PPARGALOX5PTGESEPHX2PPARA
SCHEMBL4987462 0.88 PPARG (0.47) PPARGALOX5PTGESEPHX2PPARA
SCHEMBL4990084 0.86 PPARG (0.35) PPARGEPHX2PPARAPPARDGRIK1
SCHEMBL4987896 0.85 PPARA (0.35) PPARGALOX5EPHX2PPARAPPARD
SCHEMBL4983377 0.85 PPARG (0.38) PPARGEPHX2PPARAPPARDPLA2G10
SCHEMBL4995414 0.84 PPARG (0.50) PPARGALOX5PTGESEPHX2PPARA

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-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 PPARG 1820/4885ALOX5 4584/4885PTGES 1711/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885ALOX5 4087/4885PTGES 1056/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885ALOX5 4324/4885PTGES 1514/4885

“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.