SCHEMBL4986183

SCHEMBL4986183

CCC(CC(CN)C(=O)O)c1cc(O)cc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
KYNU Q16719 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 3/20 0.33
HIF1A Q16665 3/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 3/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 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
SCHEMBL4990974 0.86 AKR1C3 (0.43) SLC1A3SLC1A2SLC1A1TDP1GAA
SCHEMBL4992029 0.85 KYNU (0.49) KYNULMNAHIF1AADRA1AKDM4E
SCHEMBL4990424 0.84 ESR1 (0.47) FOLH1TDP1LMNAHIF1ACHRM1
SCHEMBL4991024 0.83 GRN (0.38) SLC1A3SLC1A2SLC1A1LMNACYP1A2
SCHEMBL4981794 0.83 AKR1C3 (0.35) SLC1A3SLC1A2SLC1A1LMNAHIF1A
SCHEMBL4993773 0.83 CYP3A4 (0.35) SLC1A3SLC1A2SLC1A1TDP1GAA
SCHEMBL27644445 0.81 KYNU (0.49) FOLH1SLC1A3SLC1A2SLC1A1KYNU
SCHEMBL4983879 0.81 FOLH1 (0.41) FOLH1SLC1A3SLC1A2SLC1A1KYNU
SCHEMBL4986341 0.81 AKR1C3 (0.43) GAAPOLBGRIK1GRIK2AKR1C3
SCHEMBL4985002 0.81 TDP1 (0.51) TDP1GAALMNAHIF1AADRA1A

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 FOLH1 2162/4885SLC1A3 118/4885SLC1A2 57/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A FOLH1 1909/4885SLC1A3 128/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A FOLH1 1905/4885SLC1A3 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.