SCHEMBL4986544

SCHEMBL4986544

CCC(Cc1cc(F)cc(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.37
DPP4 P27487 2/20 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
CPB2 Q96IY4 1/20 0.34
PPARG P37231 3/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
EPHX2 P34913 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PKM P14618 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 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) CPB2PPARGPPARDPPARAEPHX2
SCHEMBL4983827 0.88 RIPK1 (0.36) RIPK1DPP4FAPDPP8DPP9
SCHEMBL4985206 0.85 RIPK1 (0.34) RIPK1DPP4FAPDPP8DPP9
SCHEMBL4986068 0.85 CPB2 (0.35) RIPK1DPP4CPB2PPARGPPARD
SCHEMBL4991087 0.85 PPARG (0.40) RIPK1DPP4DPP7PPARGPPARD
SCHEMBL4989908 0.85 DPP4 (0.43) RIPK1DPP4DPP8DPP9DPP7
SCHEMBL4992902 0.85 PPARG (0.40) RIPK1DPP4DPP7PPARGPPARD
SCHEMBL4992397 0.85 PPARG (0.40) RIPK1DPP4DPP7PPARGPPARD
SCHEMBL4989521 0.85 DPP4 (0.43) RIPK1DPP4DPP8DPP9DPP7
SCHEMBL4993169 0.85 PPARG (0.40) RIPK1DPP4DPP7PPARGPPARD

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 4443/4885DPP4 2680/4885FAP 2260/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A RIPK1 4295/4885DPP4 3263/4885FAP 2100/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A RIPK1 4459/4885DPP4 2672/4885FAP 2100/4885

“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.