SCHEMBL4990104

SCHEMBL4990104

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
CPB2 Q96IY4 1/20 0.35
CA2 P00918 1/20 0.34
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 4/20 0.33
PPARG P37231 4/20 0.33
EPHX2 P34913 2/20 0.33
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
P2RX7 Q99572 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
SCHEMBL4992630 0.88 CPB2 (0.34) CPB2MMEPPARGEPHX2PPARD
SCHEMBL4988595 0.88 RIPK1 (0.38) RIPK1CPB2DPP4PPARGEPHX2
SCHEMBL4993209 0.87 RIPK1 (0.35) RIPK1CPB2CA2DPP4FAP
SCHEMBL4990647 0.85 CPB2 (0.35) CPB2DPP4MMEPPARGEPHX2
SCHEMBL4986483 0.85 CA2 (0.35) RIPK1CPB2CA2DPP4FAP
SCHEMBL4992635 0.85 RIPK1 (0.34) RIPK1CPB2CA2P2RX7
SCHEMBL4992902 0.84 PPARG (0.40) RIPK1DPP4DPP7MMEPPARG
SCHEMBL4991087 0.84 PPARG (0.40) RIPK1DPP4DPP7MMEPPARG
SCHEMBL4989521 0.84 DPP4 (0.43) RIPK1DPP4DPP8DPP9DPP7
SCHEMBL4992397 0.84 PPARG (0.40) RIPK1DPP4DPP7MMEPPARG

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 RIPK1 4443/4885CPB2 1747/4885CA2 360/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A RIPK1 4295/4885CPB2 1342/4885CA2 299/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A RIPK1 4459/4885CPB2 1460/4885CA2 319/4885

“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.