SCHEMBL4987449

SCHEMBL4987449

CC(CC(CN)C(=O)O)C(C)c1ccc(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
PPARA Q07869 3/20 0.32
EPHX2 P34913 1/20 0.32
PPARD Q03181 2/20 0.32
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL4995435 0.90 KCNK3 (0.38) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4987618 0.88 PPARG (0.37) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4988723 0.87 PPARG (0.36) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4984542 0.84 PPARG (0.38) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4990041 0.83 PPARG (0.41) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4987393 0.83 GRIK1 (0.39) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4992608 0.83 GRIK1 (0.39) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4986554 0.82 GRIK1 (0.34) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4990058 0.81 PPARG (0.40) PPARGGRIK1GRIK2PPARAEPHX2
SCHEMBL4990927 0.80 PPARG (0.39) PPARGGRIK1GRIK2PPARAEPHX2

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 1820/4885GRIK1 413/4885GRIK2 201/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885GRIK1 304/4885GRIK2 177/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885GRIK1 415/4885GRIK2 196/4885

“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.