SCHEMBL4995488

SCHEMBL4995488

CC(CC(CN)C(=O)O)C(C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 2/20 0.42
EPHX1 P07099 2/20 0.41
PTPN1 P18031 1/20 0.39
PDE2A O00408 1/20 0.38
PPARD Q03181 2/20 0.37
PLA2G10 O15496 2/20 0.37
PLA2G2A P14555 2/20 0.37
PLA2G5 P39877 2/20 0.37
ACE P12821 1/20 0.36
SLC7A5 Q01650 2/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL4989772 0.87 GRIK1 (0.38) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4987414 0.87 EPHX2 (0.47) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4989941 0.85 GPR139 (0.46) GRIK1GRIK2PLA2G10PLA2G2APLA2G5
SCHEMBL27643886 0.84 GRIK1 (0.53) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4990927 0.84 PPARG (0.39) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4989886 0.84 GRIK1 (0.43) GRIK1GRIK2ALDH1A1
SCHEMBL4986211 0.83 AKR1C3 (0.44) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4992608 0.82 GRIK1 (0.39) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4987393 0.82 GRIK1 (0.39) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4994275 0.82 PPARA (0.48) GRIK1GRIK2PPARAPPARGEPHX2

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 GRIK1 413/4885GRIK2 201/4885PPARA 1454/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885GRIK2 177/4885PPARA 1126/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885GRIK2 196/4885PPARA 1324/4885

“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.