SCHEMBL4989752

SCHEMBL4989752

C[C@H](Cc1ccc(F)cc1F)C[C@@H](CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.38
DPP7 Q9UHL4 2/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
MAOB P27338 1/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
RIPK1 Q13546 2/20 0.36
DPP8 Q6V1X1 2/20 0.35
FAP Q12884 1/20 0.35
DPP9 Q86TI2 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4987838 1.00 DPP4 (0.38) DPP4DPP7EPHX2PPARGMAOB
SCHEMBL4981480 0.89 DPP4 (0.43) DPP4DPP7RIPK1DPP8DPP9
SCHEMBL4989692 0.87 MAOB (0.38) EPHX2PPARGMAOBIDO1AGXT
SCHEMBL3992873 0.85 MAOB (0.36) EPHX2PPARGMAOBIDO1AGXT
SCHEMBL3995282 0.85 MAOB (0.36) EPHX2PPARGMAOBIDO1AGXT
SCHEMBL3998129 0.85 MAOB (0.36) EPHX2PPARGMAOBIDO1AGXT
SCHEMBL4991087 0.84 PPARG (0.40) DPP4DPP7EPHX2PPARGMAOB
SCHEMBL4992397 0.84 PPARG (0.40) DPP4DPP7EPHX2PPARGMAOB
SCHEMBL4992902 0.84 PPARG (0.40) DPP4DPP7EPHX2PPARGMAOB
SCHEMBL4993169 0.84 PPARG (0.40) DPP4DPP7EPHX2PPARGMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 1811/4885EPHX2 3970/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A DPP4 3263/4885DPP7 2158/4885EPHX2 3738/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A DPP4 2672/4885DPP7 1690/4885EPHX2 3738/4885

“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.