SCHEMBL4992991

SCHEMBL4992991

CCC(CCc1c(O)cc(O)cc1O)CC(CN)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
CPB2 Q96IY4 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 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
SCHEMBL4989504 0.92 SLC28A3 (0.34) PTPN1PTPN11CPB2TDP1CHRM1
SCHEMBL4984587 0.86 GRIK1 (0.33) CPB2TDP1LMNAHIF1ASLC1A3
SCHEMBL4985221 0.86 TDP1 (0.37) PTPN1PTPN11CPB2TDP1CHRM1
SCHEMBL4984070 0.86 PTPN1 (0.37) PTPN1PTPN11CPB2TDP1CHRM1
SCHEMBL4987793 0.85 PTGS2 (0.36) CPB2TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL4986128 0.85 PTPN1 (0.33) PTPN1PTPN11CPB2TDP1LMNA
SCHEMBL4993534 0.83 TYR (0.47) TDP1MEN1CYP3A4KMT2A
SCHEMBL4984156 0.83 CPB2 (0.34) CPB2TDP1LMNAHIF1ASLC1A3
SCHEMBL4984822 0.82 KDM4E (0.43) TDP1ADRA1ALMNACYP1A2HIF1A
SCHEMBL4990222 0.81 PTPN1 (0.35) PTPN1PTPN11CPB2MEN1KMT2A

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 PTPN1 4508/4885PTPN11 4523/4885CPB2 1747/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTPN1 4620/4885PTPN11 4641/4885CPB2 1342/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTPN1 4596/4885PTPN11 4607/4885CPB2 1460/4885

“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.