Sugi Predict

Sugi Predict / Compounds / SCHEMBL4988079

SCHEMBL4988079

SCHEMBL4988079

CCC(CC(CN)C(=O)O)c1c(O)ccc(O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ PMP22 Q01453 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADRB2 P07550 2/20 0.33
▸ ADRA2A P08913 2/20 0.33

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
SCHEMBL4993490 0.87 SLC1A1 (0.35) GAASLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL4989718 0.84 ADRA2A (0.36) GAASLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL4993953 0.82 PTGES (0.36) GAASLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL27665202 0.82 SLC1A1 (0.43) SLC1A3SLC1A2SLC1A1KDM4EBLM
SCHEMBL4993773 0.81 CYP3A4 (0.35) GAASLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL4986372 0.80 BCHE (0.41) GAASLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL4989392 0.79 KDM4E (0.33) GAASLC1A3SLC1A2KDM4EBLM
SCHEMBL4985002 0.78 TDP1 (0.51) GAAKDM4EBLMPMP22TDP1
SCHEMBL4993701 0.78 PPARG (0.37) SLC1A3SLC1A2SLC1A1LMNANR4A2
SCHEMBL4983418 0.77 CA12 (0.37) GAASLC1A3SLC1A2SLC1A1KDM4E

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 GAA 2329/4885SLC1A3 118/4885SLC1A2 57/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GAA 2133/4885SLC1A3 128/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GAA 2307/4885SLC1A3 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.