SCHEMBL4989063

SCHEMBL4989063

CC(Cc1cc(O)cc(O)c1)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
CPB2 Q96IY4 3/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
HSP90AB1 P08238 1/20 0.34
SLC1A1 P43005 1/20 0.34
FOLH1 Q04609 2/20 0.34
SLC7A5 Q01650 1/20 0.33
CYP1A2 P05177 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
ERAP2 Q6P179 2/20 0.32
ERAP1 Q9NZ08 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
SCHEMBL4990403 0.86 ANPEP (0.36) ANPEPSLC1A3SLC1A2HSP90AB1SLC1A1
SCHEMBL4989957 0.85 GRIA2 (0.48) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4990096 0.84 SLC7A5 (0.51) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4989232 0.84 ANPEP (0.41) ANPEPRNPEPDNPEPCPB2SLC1A3
SCHEMBL4989853 0.84 GRIK1 (0.40) ANPEPCPB2HSP90AB1FOLH1ERAP2
SCHEMBL4989888 0.83 SLC1A1 (0.35) ANPEPRNPEPDNPEPCPB2SLC1A3
SCHEMBL4983912 0.83 TDP1 (0.35) ANPEPRNPEPDNPEPCPB2SLC1A3
SCHEMBL4987663 0.83 GRN (0.38) ANPEPRNPEPDNPEPCPB2
SCHEMBL4985333 0.82 CPB2 (0.37) ANPEPRNPEPDNPEPCPB2SLC1A3
SCHEMBL4983787 0.81 LDHA (0.40)

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 ANPEP 750/4885RNPEP 1730/4885DNPEP 332/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885RNPEP 1513/4885DNPEP 355/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885RNPEP 1486/4885DNPEP 251/4885

“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.