SCHEMBL4986902

SCHEMBL4986902

CC(CCc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1)CC(CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
PPARA Q07869 3/20 0.37
EPHX2 P34913 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
EPHX1 P07099 1/20 0.34
PPARD Q03181 2/20 0.34
MGLL Q99685 1/20 0.34
CYP2C9 P11712 1/20 0.33
ALOX5 P09917 2/20 0.32
PLA2G10 O15496 2/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G5 P39877 2/20 0.32
PTGES O14684 1/20 0.32
HTR2C P28335 1/20 0.32
MAPK14 Q16539 1/20 0.32
PIM1 P11309 1/20 0.32
SCN9A Q15858 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL4991226 0.93 PPARG (0.36) PPARGPPARAEPHX2GRIK1GRIK2
SCHEMBL4986652 0.89 CHRM2 (0.44) PPARGEPHX1CYP2C9PLA2G10PLA2G2A
SCHEMBL4987625 0.88 PPARG (0.47) PPARGPPARAEPHX2GRIK1GRIK2
SCHEMBL4991119 0.88 PPARG (0.41) PPARGPPARAEPHX2GRIK1GRIK2
SCHEMBL4991387 0.86 PPARG (0.40) PPARGPPARAEPHX2GRIK1GRIK2
SCHEMBL4987431 0.86 GRIK1 (0.35) PPARGPPARAEPHX2GRIK1GRIK2
SCHEMBL4987810 0.85 AKR1B1 (0.39)
SCHEMBL4989960 0.82 PTGS2 (0.41) PPARGPPARAPPARDCYP2C9ALOX5
SCHEMBL4990011 0.82 PPARG (0.41) PPARGPPARAEPHX2PPARD
SCHEMBL4991461 0.82 PPARG (0.33) PPARGPPARAEPHX2GRIK1GRIK2

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 1820/4885PPARA 1454/4885EPHX2 3970/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885PPARA 1126/4885EPHX2 3738/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885PPARA 1324/4885EPHX2 3738/4885

“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.