Sugi Predict

Sugi Predict / Compounds / SCHEMBL4991485

SCHEMBL4991485

SCHEMBL4991485

CC(CC(CN)C(=O)O)c1c(O)cccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.35
▸ RNPEP Q9H4A4 1/20 0.35
▸ DNPEP Q9ULA0 1/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ GRM3 Q14832 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ HDAC4 P56524 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
SCHEMBL4993953 0.86 PTGES (0.36) ANPEPRNPEPDNPEPCA1CA2
SCHEMBL4994363 0.84 ANPEP (0.34) ANPEPRNPEPDNPEPCA12CA1
SCHEMBL4986653 0.84 PTGES (0.40) SLC1A3SLC1A2SLC1A1KDM4EHIF1A
SCHEMBL4986018 0.84 PPARG (0.36) ANPEPRNPEPDNPEPTAAR1SLC1A3
SCHEMBL4994105 0.83 TSHR (0.38) ANPEPRNPEPDNPEPTAAR1CA12
SCHEMBL4987994 0.83 CES2 (0.37) ANPEPRNPEPDNPEPTAAR1SLC1A3
SCHEMBL4990778 0.83 TSHR (0.51) ANPEPRNPEPDNPEPTAAR1SLC1A3
SCHEMBL4983560 0.83 GRIK1 (0.42) ANPEPRNPEPDNPEPTAAR1SLC1A3
SCHEMBL4993490 0.81 SLC1A1 (0.35) ANPEPRNPEPDNPEPCA12CA1
SCHEMBL4991190 0.80 KMT2A (0.43) CA12CA1CA2CA7CA9

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 ANPEP 750/4885RNPEP 1730/4885DNPEP 332/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885RNPEP 1513/4885DNPEP 355/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885RNPEP 1486/4885DNPEP 251/4885

“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.