SCHEMBL4985333

SCHEMBL4985333

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
CYP1A2 P05177 2/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
PDE4A P27815 1/20 0.34
ADRA1A P35348 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
HSP90AB1 P08238 1/20 0.33
PPARG P37231 2/20 0.32
SLC7A5 Q01650 1/20 0.32
SIRT5 Q9NXA8 1/20 0.31
CYP3A4 P08684 1/20 0.31
PTGS2 P35354 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL4992735 0.86 GRIA2 (0.46) SLC1A3SLC1A2SLC1A1CYP1A2LMNA
SCHEMBL4987793 0.86 PTGS2 (0.36) CPB2TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL4987450 0.85 SLC7A5 (0.49) PPARGSLC7A5
SCHEMBL4989643 0.85 ANPEP (0.40) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4985166 0.84 EPHX2 (0.38) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4994618 0.84 CPB2 (0.36) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4986691 0.84 CPB2 (0.36) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4985221 0.84 TDP1 (0.37) CPB2TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL4986430 0.83 PTGS2 (0.41) CPB2SLC1A3SLC1A2SLC1A1CYP3A4
SCHEMBL4983858 0.83 PPARG (0.41) PPARGEPHX2

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 CPB2 1747/4885TDP1 3418/4885SLC1A3 118/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CPB2 1342/4885TDP1 3780/4885SLC1A3 128/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CPB2 1460/4885TDP1 3406/4885SLC1A3 104/4885

“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.