SCHEMBL4990403

SCHEMBL4990403

CC(CCc1cc(O)cc(O)c1)CC(CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.36
ERAP2 Q6P179 4/20 0.36
ERAP1 Q9NZ08 4/20 0.36
PTGS2 P35354 3/20 0.35
CYP3A4 P08684 1/20 0.35
FOLH1 Q04609 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GRIK1 P39086 1/20 0.33
LTA4H P09960 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
LAP3 P28838 1/20 0.32
ENPEP Q07075 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
SCHEMBL4989853 0.91 GRIK1 (0.40) ANPEPERAP2ERAP1PTGS2CYP3A4
SCHEMBL4985219 0.87 ANPEP (0.45) ANPEPERAP2ERAP1PTGS2GRIK1
SCHEMBL4989063 0.86 ANPEP (0.35) ANPEPERAP2ERAP1FOLH1HSP90AB1
SCHEMBL4994531 0.86 ANPEP (0.51) ANPEPERAP2ERAP1GRIK1
SCHEMBL4984115 0.85 ANPEP (0.32) ANPEPERAP2ERAP1GRIK1SLC1A3
SCHEMBL4983789 0.85 ANPEP (0.45) ANPEPERAP2ERAP1FOLH1GRIK1
SCHEMBL4987793 0.84 PTGS2 (0.36) ANPEPERAP2ERAP1PTGS2CYP3A4
SCHEMBL4986128 0.84 PTPN1 (0.33) ANPEPERAP2ERAP1CYP3A4SLC1A3
SCHEMBL3994953 0.83 GRIK1 (0.50) ANPEPERAP2ERAP1GRIK1LAP3
SCHEMBL3994985 0.83 GRIK1 (0.50) ANPEPERAP2ERAP1GRIK1LAP3

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 750/4885ERAP2 802/4885ERAP1 1331/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885ERAP2 655/4885ERAP1 1085/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885ERAP2 731/4885ERAP1 1300/4885

“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.