SCHEMBL4988034

SCHEMBL4988034

CCC(Cc1ccc(F)c(F)c1)CC(CN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.39
PPARA Q07869 4/20 0.38
PPARD Q03181 3/20 0.38
PPARG P37231 3/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
DPP4 P27487 2/20 0.37
RIPK1 Q13546 1/20 0.36
EPHX2 P34913 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL4989310 0.87 DPP4 (0.37) MMEPPARGACECPA1ACE2
SCHEMBL4986369 0.85 GRIK1 (0.38) MMEACECPA1ACE2DPP4
SCHEMBL4990406 0.85 MME (0.41) MMEPPARAPPARDPPARGACE
SCHEMBL4989491 0.85 MME (0.41) MMEPPARAPPARDPPARGACE
SCHEMBL4987309 0.84 MME (0.40) MMEACECPA1ACE2DPP4
SCHEMBL4991239 0.83 SLC1A1 (0.51) PPARAPPARGEPHX2
SCHEMBL4984641 0.83 SLC1A1 (0.51) PPARAPPARGEPHX2
SCHEMBL4990707 0.83 SMN1; SMN2 (0.40) PPARAPPARDPPARGACE
SCHEMBL4990056 0.83 KDM4E (0.52) PPARG
SCHEMBL4987975 0.82 PPARG (0.52) MMEPPARAPPARGEPHX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US 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
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

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 MME 2393/4885PPARA 1454/4885PPARD 1357/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MME 2286/4885PPARA 1126/4885PPARD 1447/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MME 2084/4885PPARA 1324/4885PPARD 1355/4885

“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.