SCHEMBL4989113

SCHEMBL4989113

CC(CCCc1ccc(OC(F)(F)F)c(OC(F)(F)F)c1)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.38
KCNH2 Q12809 5/20 0.38
TMEM97 Q5BJF2 5/20 0.38
SIGMAR1 Q99720 5/20 0.38
PPARA Q07869 8/20 0.38
PPARD Q03181 6/20 0.38
EPHX2 P34913 1/20 0.36
GRIK1 P39086 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 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
SCHEMBL4990011 0.93 PPARG (0.41) PPARGKCNH2TMEM97SIGMAR1PPARA
SCHEMBL4992941 0.87 PPARG (0.41) PPARGKCNH2TMEM97SIGMAR1PPARA
SCHEMBL4987503 0.86 PPARA (0.44) PPARGPPARAPPARDEPHX2
SCHEMBL4994138 0.85 PPARA (0.45) PPARGPPARAPPARDEPHX2GRIK1
SCHEMBL4987852 0.84 LDHA (0.49)
SCHEMBL4990042 0.84 PPARG (0.42) PPARGPPARAGRIK1
SCHEMBL4991226 0.83 PPARG (0.36) PPARGPPARAPPARDEPHX2GRIK1
SCHEMBL4993910 0.83 PPARA (0.38) PPARGPPARAPPARDEPHX2GRIK1
SCHEMBL4990666 0.83 PPARG (0.45) PPARGKCNH2TMEM97SIGMAR1PPARA
SCHEMBL4986042 0.83 PPARG (0.32) PPARGPPARAPPARDEPHX2GRIK1

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 1820/4885KCNH2 423/4885TMEM97 121/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885KCNH2 424/4885TMEM97 170/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885KCNH2 449/4885TMEM97 132/4885

“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.