Sugi Predict

Sugi Predict / Compounds / SCHEMBL4986170

SCHEMBL4986170

SCHEMBL4986170

CCC(Cc1c(O)cccc1O)CC(CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.36
▸ SLC1A3 P43003 2/20 0.35
▸ SLC1A2 P43004 2/20 0.35
▸ SLC1A1 P43005 2/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ HIF1A Q16665 2/20 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
▸ CYP2C9 P11712 1/20 0.33
▸ ANPEP P15144 2/20 0.33
▸ RNPEP Q9H4A4 1/20 0.33
▸ DNPEP Q9ULA0 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GRM2 Q14416 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
SCHEMBL4993420 0.87 TDP1 (0.36) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4984587 0.86 GRIK1 (0.33) CPB2SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL4985221 0.86 TDP1 (0.37) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4993544 0.86 PPARG (0.38) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4987271 0.85 IAPP (0.40) CPB2PPARG
SCHEMBL4989384 0.84 CPB2 (0.35) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4986351 0.84 CPB2 (0.35) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4981486 0.84 AKR1B1 (0.39) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4987943 0.84 AKR1B1 (0.40) CPB2SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4984609 0.84 GRIK1 (0.37) CPB2PPARGLMNAGRM2GRM3

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 1747/4885SLC1A3 118/4885SLC1A2 57/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CPB2 1342/4885SLC1A3 128/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CPB2 1460/4885SLC1A3 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.