SCHEMBL4983530

SCHEMBL4983530

CC(Cc1ccc(OC(F)(F)F)cc1OC(F)(F)F)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARG P37231 4/20 0.41
PPARD Q03181 3/20 0.41
EPHX2 P34913 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
MGLL Q99685 1/20 0.39
PLA2G10 O15496 4/20 0.38
PLA2G2A P14555 4/20 0.38
PLA2G5 P39877 4/20 0.38
FFAR4 Q5NUL3 2/20 0.36
PIM1 P11309 1/20 0.35
EPHX1 P07099 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35

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
SCHEMBL4993139 0.91 PPARA (0.43) PPARAPPARGPPARDEPHX2GRIK1
SCHEMBL4989825 0.89 PPARG (0.39) PPARAPPARGPPARDEPHX2GRIK1
SCHEMBL4991110 0.87 PPARD (0.38) PPARAPPARGPPARDEPHX2GRIK1
SCHEMBL4984283 0.87 PPARG (0.43) PPARAPPARGPPARDEPHX2GRIK1
SCHEMBL4990210 0.85 PPARG (0.36) PPARAPPARGPPARDEPHX2GRIK1
SCHEMBL4987967 0.85 PPARG (0.51) PPARGEPHX2SLC6A2SLC6A4LNPEP
SCHEMBL4990187 0.85 PPARA (0.37) PPARAPPARGPPARDEPHX2GRIK1
SCHEMBL4990102 0.83 PPARG (0.38) PPARAPPARGPPARDEPHX2GRIK1
SCHEMBL4989280 0.82 PPARG (0.39) PPARAPPARGPPARDEPHX2GRIK1
SCHEMBL4994176 0.82 PPARA (0.54) PPARAPPARGPPARDEPHX2GRIK1

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 PPARA 1454/4885PPARG 1820/4885PPARD 1357/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARA 1126/4885PPARG 1405/4885PPARD 1447/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARA 1324/4885PPARG 1828/4885PPARD 1355/4885

“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.