SCHEMBL4984635

SCHEMBL4984635

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.37
PPARD Q03181 4/20 0.37
MMP2 P08253 3/20 0.37
MMP3 P08254 2/20 0.37
PPARG P37231 10/20 0.37
EPHX2 P34913 8/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GRIK1 P39086 1/20 0.36
DAO P14920 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 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
SCHEMBL4990630 0.93 PPARG (0.40) PPARAPPARDPPARGEPHX2RXRA
SCHEMBL4991752 0.86 MMP2 (0.38) PPARAPPARDMMP2MMP3PPARG
SCHEMBL4986590 0.86 PPARG (0.42) PPARAPPARDPPARGEPHX2RXRA
SCHEMBL4990052 0.85 PPARA (0.48) PPARAPPARDMMP2MMP3PPARG
SCHEMBL4992250 0.83 TAAR1 (0.45) PPARAMMP2MMP3PPARGGRIK1
SCHEMBL4986369 0.83 GRIK1 (0.38) MMP2MMP3GRIK1
SCHEMBL4987432 0.83 TACR1 (0.41) PPARAPPARDMMP2MMP3PPARG
SCHEMBL4989755 0.83 PPARA (0.40) PPARAPPARDPPARGEPHX2
SCHEMBL4987434 0.82 AKR1C3 (0.33) PPARAPPARGEPHX2GRIK1AKR1B10
SCHEMBL4986488 0.82 EPHX2 (0.38) PPARGEPHX2GRIK1AKR1B10AKR1C4

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 1357/4885MMP2 4647/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARA 1126/4885PPARD 1447/4885MMP2 4713/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARA 1324/4885PPARD 1355/4885MMP2 4616/4885

“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.