SCHEMBL4986483

SCHEMBL4986483

CC(Cc1ccc(F)c(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
RIPK1 Q13546 1/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MME P08473 3/20 0.34
P2RX7 Q99572 2/20 0.33
CPB2 Q96IY4 3/20 0.32
ANPEP P15144 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL4986465 0.88 DPP4 (0.38) RIPK1DPP4ANPEPRNPEPDNPEP
SCHEMBL4994386 0.86 CA2 (0.34) CA2RIPK1DPP4FAPDPP8
SCHEMBL4985237 0.86 HDAC3 (0.34) DPP4MMECPB2
SCHEMBL4983801 0.86 MME (0.35) DPP4MMECPB2ANPEPRNPEP
SCHEMBL4990104 0.85 RIPK1 (0.36) CA2RIPK1DPP4FAPDPP8
SCHEMBL4989224 0.84 GRIK1 (0.34) CA2RIPK1DPP4FAPDPP8
SCHEMBL4989752 0.82 DPP4 (0.38) RIPK1DPP4FAPDPP8DPP9
SCHEMBL4981480 0.82 DPP4 (0.43) RIPK1DPP4DPP8DPP9DPP7
SCHEMBL4987838 0.82 DPP4 (0.38) RIPK1DPP4FAPDPP8DPP9
SCHEMBL4994718 0.82 PPARG (0.42) DPP4ANPEPRNPEPDNPEPSLC1A3

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 CA2 360/4885RIPK1 4443/4885DPP4 2680/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CA2 299/4885RIPK1 4295/4885DPP4 3263/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CA2 319/4885RIPK1 4459/4885DPP4 2672/4885

“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.