SCHEMBL4558745

SCHEMBL4558745

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.60
CAPN1 P07384 1/20 0.54
PSMB8 P28062 1/20 0.53
PSMB9 P28065 1/20 0.53
PSMB5 P28074 1/20 0.53
CTSS P25774 4/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 3/20 0.52
CYP1A2 P05177 1/20 0.52
ATM Q13315 1/20 0.51
TPSAB1 Q15661 2/20 0.50
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50

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
SCHEMBL4561159 1.00 CTSK (0.60) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL29577075 1.00 CTSK (0.60) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL10608051 1.00 CTSK (0.60) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL4561049 0.91 CTSK (0.59) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL8557434 0.91 CTSK (0.59) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL4560701 0.91 CTSK (0.59) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL1436898 0.90 CAPN1 (0.62) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL9830575 0.90 CAPN1 (0.62) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL4559069 0.89 CTSK (0.57) CTSKCAPN1PSMB8PSMB9PSMB5
SCHEMBL7155003 0.88 MME (0.59) CTSKCAPN1PSMB8PSMB9PSMB5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US claimed
EP-1529030-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID Prestwick Pharmaceuticals, Inc. (US) 2005-05-11 EP claimed
WO-2004016580-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID PRESTWICK PHARMACEUTICALS, INC. (US) 2004-02-26 WO claimed
US-7488755-B2 Derivatives of glycinergic R(+)-2-amino-3-hydroxypropanoic acid PRESTWICK PHARMACEUTICALS, INC. (US) 2009-02-10 US disclosed
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US disclosed
EP-1529030-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID Prestwick Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
WO-2004016580-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID PRESTWICK PHARMACEUTICALS, INC. (US) 2004-02-26 WO disclosed
EP-0094815-B1 OLIGOPEPTIDE PRODRUGS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-11 EP disclosed
EP-0094815-A2 Oligopeptide prodrugs SMITHKLINE BECKMAN CORPORATION (US) 1983-11-23 EP 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 (1 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-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid GLRA3, GLRA1, GLRA2 CTSK 4036/4885CAPN1 1697/4885PSMB8 2619/4885

“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.