SCHEMBL4987288

SCHEMBL4987288

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
ALOX5 P09917 3/20 0.35
PTGES O14684 1/20 0.35
PPARD Q03181 3/20 0.34
KCNH2 Q12809 2/20 0.34
PPARA Q07869 1/20 0.34
EPHX2 P34913 2/20 0.33
LNPEP Q9UIQ6 1/20 0.33
GRIK1 P39086 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KCNK3 O14649 2/20 0.31
KCNK9 Q9NPC2 2/20 0.31
SCN9A Q15858 1/20 0.31
GRIK2 Q13002 1/20 0.31
PTGS2 P35354 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
SCHEMBL4983812 0.94 PPARG (0.40) PPARGALOX5PTGESPPARDKCNH2
SCHEMBL4990770 0.91 PPARG (0.34) PPARGPPARDPPARAEPHX2GRIK1
SCHEMBL4990614 0.90 PPARG (0.45) PPARGALOX5PTGESPPARDKCNH2
SCHEMBL4987789 0.88 PPARG (0.42) PPARGALOX5PTGESPPARDPPARA
SCHEMBL4989746 0.87 PPARG (0.44) PPARGALOX5PTGESPPARDKCNH2
SCHEMBL4990783 0.87 PPARG (0.37) PPARGPPARDKCNH2PPARAEPHX2
SCHEMBL4986042 0.85 PPARG (0.32) PPARGPPARDPPARAEPHX2GRIK1
SCHEMBL4985825 0.84 PPARD (0.33) PPARGPPARDKCNH2PPARAEPHX2
SCHEMBL4989847 0.84 PPARG (0.35) PPARGPPARDPPARAEPHX2GRIK1
SCHEMBL4989092 0.84 PPARG (0.47) PPARGALOX5PTGESEPHX2LNPEP

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.