SCHEMBL4987393

SCHEMBL4987393

CC(CC(CN)C(=O)O)C(C)c1ccc(OC(F)(F)F)cc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
PLA2G10 O15496 5/20 0.38
PLA2G2A P14555 5/20 0.38
PLA2G5 P39877 5/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
EPHX2 P34913 1/20 0.38
PPARD Q03181 2/20 0.37
PIM1 P11309 1/20 0.35
EPHX1 P07099 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PDE2A O00408 2/20 0.35
FFAR4 Q5NUL3 2/20 0.34
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL4992608 0.91 GRIK1 (0.39) GRIK1GRIK2PLA2G10PLA2G2APLA2G5
SCHEMBL4989965 0.88 PPARA (0.41) GRIK1GRIK2PLA2G10PLA2G2APLA2G5
SCHEMBL4986554 0.85 GRIK1 (0.34) GRIK1GRIK2PLA2G10PLA2G2APLA2G5
SCHEMBL4986075 0.85 GRIK1 (0.37) GRIK1GRIK2PLA2G10PLA2G2APLA2G5
SCHEMBL4990041 0.85 PPARG (0.41) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4990021 0.84 PPARA (0.42) GRIK1GRIK2PLA2G10PLA2G2APLA2G5
SCHEMBL4987449 0.83 PPARG (0.34) GRIK1GRIK2PPARAPPARGEPHX2
SCHEMBL4995488 0.82 GRIK1 (0.46) GRIK1GRIK2PLA2G10PLA2G2APLA2G5
SCHEMBL4983869 0.81 PPARA (0.42) GRIK1GRIK2PLA2G10PLA2G2APLA2G5
SCHEMBL4989932 0.81 ADRA1A (0.45)

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 201/4885PLA2G10 3478/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885GRIK2 177/4885PLA2G10 3115/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885GRIK2 196/4885PLA2G10 3245/4885

“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.