SCHEMBL4990052

SCHEMBL4990052

CCC(CCCc1ccc(C(F)(F)F)cc1)CC(CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARD Q03181 8/20 0.48
PPARG P37231 7/20 0.46
EPHX2 P34913 1/20 0.46
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
FDFT1 P37268 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GRIK1 P39086 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL4983625 0.93 PPARA (0.48) PPARAPPARDPPARGEPHX2MMP2
SCHEMBL4987432 0.88 TACR1 (0.41) PPARAPPARDPPARGEPHX2MMP2
SCHEMBL4986526 0.86 GRIK1 (0.43) PPARGMMP2MMP3GRIK1TAAR1
SCHEMBL4992250 0.86 TAAR1 (0.45) PPARAPPARGMMP2MMP3HDAC1
SCHEMBL3997948 0.85 PPARA (0.45) PPARAPPARDPPARGEPHX2MMP2
SCHEMBL4001284 0.85 PPARA (0.45) PPARAPPARDPPARGEPHX2MMP2
SCHEMBL3998170 0.85 PPARA (0.45) PPARAPPARDPPARGEPHX2MMP2
SCHEMBL4984635 0.85 PPARA (0.37) PPARAPPARDPPARGEPHX2MMP2
SCHEMBL4988171 0.85 PPARA (0.48) PPARAPPARDPPARGEPHX2GRIK1
SCHEMBL4989980 0.85 PPARA (0.56) PPARAPPARDPPARGEPHX2

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 PPARA 1454/4885PPARD 1357/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARA 1126/4885PPARD 1447/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARA 1324/4885PPARD 1355/4885PPARG 1828/4885

“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.