SCHEMBL4989908

SCHEMBL4989908

CCC(Cc1cc(F)ccc1F)CC(CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.43
DPP7 Q9UHL4 8/20 0.43
DPP9 Q86TI2 8/20 0.40
DPP8 Q6V1X1 5/20 0.40
PPARG P37231 2/20 0.38
EPHX2 P34913 1/20 0.38
RIPK1 Q13546 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL4989521 1.00 DPP4 (0.43) DPP4DPP7DPP9DPP8PPARG
SCHEMBL4991087 0.90 PPARG (0.40) DPP4DPP7PPARGEPHX2RIPK1
SCHEMBL4992397 0.90 PPARG (0.40) DPP4DPP7PPARGEPHX2RIPK1
SCHEMBL4992902 0.90 PPARG (0.40) DPP4DPP7PPARGEPHX2RIPK1
SCHEMBL4993169 0.90 PPARG (0.40) DPP4DPP7PPARGEPHX2RIPK1
SCHEMBL4993932 0.90 PPARG (0.40) DPP4DPP7PPARGEPHX2RIPK1
SCHEMBL4990976 0.88 DPP4 (0.37) DPP4DPP7DPP9DPP8PPARG
SCHEMBL4990167 0.85 DPP4 (0.35) DPP4DPP7DPP9DPP8PPARG
SCHEMBL4986544 0.85 RIPK1 (0.37) DPP4DPP7DPP9DPP8PPARG
SCHEMBL4981480 0.84 DPP4 (0.43) DPP4DPP7DPP9DPP8RIPK1

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 DPP4 2680/4885DPP7 1811/4885DPP9 3111/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A DPP4 3263/4885DPP7 2158/4885DPP9 3456/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A DPP4 2672/4885DPP7 1690/4885DPP9 2941/4885

“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.