Sugi Predict

Sugi Predict / Compounds / SCHEMBL4986271

SCHEMBL4986271

SCHEMBL4986271

CC(CCc1ccc(O)c(O)c1O)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HK2 P52789 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALPI P09923 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL4985022 0.92 GRIK1 (0.35) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL4990348 0.88 IAPP (0.47) —
SCHEMBL4990702 0.87 KDM4E (0.35) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL4992811 0.85 PRKCI (0.35) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL4993700 0.84 CPB2 (0.33) KDM4ETHPOHSD17B10LMNAPOLB
SCHEMBL4990718 0.82 EGFR (0.42) KDM4EALDH1A1CYP3A4CYP2C9THPO
SCHEMBL4986424 0.82 TYR (0.54) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL4993892 0.82 TAAR1 (0.45) —
SCHEMBL4988109 0.81 PRKCI (0.33) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL4989649 0.80 IAPP (0.44) —

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 ESR2 426/4885KDM4E 3870/4885ALDH1A1 1484/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ESR2 420/4885KDM4E 3684/4885ALDH1A1 1627/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ESR2 440/4885KDM4E 3950/4885ALDH1A1 1424/4885

“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.