SCHEMBL4990770

SCHEMBL4990770

CC(CCCc1ccc(OC(F)(F)F)c(OC(F)(F)F)c1OC(F)(F)F)CC(CN)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 1/20 0.31
SLC7A5 Q01650 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL4989847 0.94 PPARG (0.35) PPARGPPARDPPARAGRIK1GRIK2
SCHEMBL4987288 0.91 PPARG (0.39) PPARGPPARDPPARAGRIK1GRIK2
SCHEMBL4986042 0.88 PPARG (0.32) PPARGPPARDPPARAGRIK1GRIK2
SCHEMBL4989910 0.88 PPARG (0.37) PPARGPPARDPPARAGRIK1GRIK2
SCHEMBL4990102 0.87 PPARG (0.38) PPARGPPARDPPARAGRIK1GRIK2
SCHEMBL4990614 0.85 PPARG (0.45) PPARGPPARDPPARAGRIK1SLC7A5
SCHEMBL4991110 0.84 PPARD (0.38) PPARGPPARDPPARAGRIK1GRIK2
SCHEMBL4993910 0.84 PPARA (0.38) PPARGPPARDPPARAGRIK1GRIK2
SCHEMBL4983812 0.84 PPARG (0.40) PPARGPPARDPPARAGRIK1GRIK2
SCHEMBL4986478 0.84 PPARG (0.33) PPARGPPARDPPARAGRIK1GRIK2

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