SCHEMBL4992979

SCHEMBL4992979

CC[C@@H](CCCc1ccc(F)cc1F)C[C@H](CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
PKM P14618 2/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
MAOB P27338 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
RIPK1 Q13546 2/20 0.34
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
DPP9 Q86TI2 1/20 0.32
MPO P05164 1/20 0.32
SLC6A4 P31645 1/20 0.32
GRIK1 P39086 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL4986805 1.00 EPHX2 (0.36) EPHX2PPARGPKMMMEACE
SCHEMBL4993560 1.00 EPHX2 (0.36) EPHX2PPARGPKMMMEACE
SCHEMBL4986198 1.00 EPHX2 (0.36) EPHX2PPARGPKMMMEACE
SCHEMBL4992917 0.93 PKM (0.37) EPHX2PPARGPKMMMEACE
SCHEMBL4990167 0.91 DPP4 (0.35) EPHX2PPARGPKMHTR2CRIPK1
SCHEMBL4985206 0.86 RIPK1 (0.34) RIPK1DPP9
SCHEMBL3998129 0.86 MAOB (0.36) EPHX2PPARGMMEACECPA1
SCHEMBL3992873 0.86 MAOB (0.36) EPHX2PPARGMMEACECPA1
SCHEMBL4992635 0.86 RIPK1 (0.34) RIPK1ALDH1A1GRIK1CA2
SCHEMBL3995282 0.86 MAOB (0.36) EPHX2PPARGMMEACECPA1

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 EPHX2 3970/4885PPARG 1820/4885PKM 4203/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A EPHX2 3738/4885PPARG 1405/4885PKM 3941/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A EPHX2 3738/4885PPARG 1828/4885PKM 4243/4885

“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.