SCHEMBL4991450

SCHEMBL4991450

CCC(CC(CN)C(=O)O)c1cc(O)cc(O)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31
CPB2 Q96IY4 2/20 0.31
CPB1 P15086 1/20 0.31
GAA P10253 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PDE4A P27815 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL4993773 0.84 CYP3A4 (0.35) TDP1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4987377 0.83 MEN1 (0.39) MEN1CYP3A4KMT2AGAACYP1A2
SCHEMBL4983418 0.83 CA12 (0.37) TDP1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4987547 0.83 PTGES (0.34) TDP1SLC1A3SLC1A2MEN1CYP3A4
SCHEMBL27665750 0.83 SLC1A2 (0.41) TDP1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4986372 0.81 BCHE (0.41) TDP1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL4985895 0.81 GRM1 (0.30)
SCHEMBL4986183 0.80 FOLH1 (0.37) TDP1SLC1A3SLC1A2SLC1A1DRD3
SCHEMBL4989718 0.79 ADRA2A (0.36) TDP1SLC1A3SLC1A2SLC1A1DRD3
SCHEMBL4991102 0.77 TSHR (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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 TDP1 3418/4885SLC1A3 118/4885SLC1A2 57/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TDP1 3780/4885SLC1A3 128/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TDP1 3406/4885SLC1A3 104/4885SLC1A2 29/4885

“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.