SCHEMBL4986333

SCHEMBL4986333

CC(CCCc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)(F)F)CC(CN)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
EPHX2 P34913 1/20 0.30
PPARG P37231 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
SCHEMBL4992452 0.93 EPHX2 (0.31) AKR1C3AKR1C2EPHX2PPARG
SCHEMBL4990344 0.88 GRIK1 (0.36) GRIK1AKR1C3AKR1C2EPHX2PPARG
SCHEMBL4985267 0.87 EPHX2 (0.32) GRIK1EPHX2PPARG
SCHEMBL4987434 0.86 AKR1C3 (0.33) GRIK1AKR1C3AKR1C2EPHX2PPARG
SCHEMBL4989929 0.85 PPARG (0.34) AKR1C3AKR1C2EPHX2PPARG
SCHEMBL4989252 0.84 EPHX2 (0.37) GRIK1AKR1C3AKR1C2EPHX2PPARG
SCHEMBL4987844 0.82 EPHX2 (0.33) AKR1C3AKR1C2EPHX2PPARG
SCHEMBL4983870 0.82 CACNA1H (0.34) GRIK1AKR1C3AKR1C2EPHX2PPARG
SCHEMBL4989779 0.81 PPARG (0.33) AKR1C3AKR1C2EPHX2PPARG
SCHEMBL4991752 0.81 MMP2 (0.38) GRIK1EPHX2PPARG

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 413/4885AKR1C3 4710/4885AKR1C2 4233/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885AKR1C3 4658/4885AKR1C2 4077/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885AKR1C3 4657/4885AKR1C2 4126/4885

“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.