Sugi Predict

Sugi Predict / Compounds / SCHEMBL5969989

SCHEMBL5969989

SCHEMBL5969989

CN(C)c1ccc(CN[C@@H](C(=O)O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ KLK5 Q9Y337 2/20 0.48
▸ PSMB11 A5LHX3 2/20 0.48
▸ PSMA7 O14818 2/20 0.48
▸ PSMB1 P20618 2/20 0.48
▸ PSMA1 P25786 2/20 0.48
▸ PSMA2 P25787 2/20 0.48
▸ PSMA3 P25788 2/20 0.48
▸ PSMA4 P25789 2/20 0.48
▸ PSMB8 P28062 2/20 0.48
▸ PSMB9 P28065 2/20 0.48
▸ PSMA5 P28066 2/20 0.48
▸ PSMB4 P28070 2/20 0.48
▸ PSMB6 P28072 2/20 0.48
▸ PSMB5 P28074 2/20 0.48
▸ PSMB10 P40306 2/20 0.48
▸ PSMB3 P49720 2/20 0.48
▸ PSMB2 P49721 2/20 0.48
▸ PSMA6 P60900 2/20 0.48
▸ PSMA8 Q8TAA3 2/20 0.48

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
SCHEMBL5970085 0.91 PSMB11 (0.47) ATMKLK5PSMB11PSMA7PSMB1
SCHEMBL7343995 0.87 CTSD (0.56) ATMKLK5PSMB11PSMA7PSMB1
SCHEMBL7343999 0.87 CTSD (0.56) ATMKLK5PSMB11PSMA7PSMB1
SCHEMBL5969986 0.83 PSMB11 (0.49) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL5970391 0.83 KLK5 (0.51) ATMKLK5PSMB11PSMA7PSMB1
SCHEMBL5969992 0.83 PSMB11 (0.49) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL5970223 0.82 KLK5 (0.52) ATMKLK5PSMB11PSMA7PSMB1
SCHEMBL6444482 0.82 ATM (0.59) ATMKLK5TRPM8CTSDAPP
SCHEMBL5970170 0.82 PSMB11 (0.52) ATMKLK5PSMB11PSMA7PSMB1
SCHEMBL5970187 0.81 PSMB11 (0.51) ATMKLK5PSMB11PSMA7PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205673-A1 2-Amino-3-hydroxy-4-tert-leucyl-amino-5-phenyl-pentanoic acid amide derivatives FURET PASCAL 2006-09-14 — — US disclosed
EP-1290012-B1 2-AMINO-3-HYDROXY-4-TERT-LEUCYL-AMINO-5-PHENYL-PENTANOIC ACID AMIDE DERIVATIVES NOVARTIS AG (CH) 2006-05-10 — — EP disclosed
US-20030166572-A1 2-Amino-3-hydroxy-4-tert-leucyl-amino-5 phenyl-pentanoic acid amide derivatives FURET PASCAL (FR) 2003-09-04 — — US disclosed
EP-1290012-A2 2-AMINO-3-HYDROXY-4-TERT-LEUCYL-AMINO-5-PHENYL-PENTANOIC ACID AMIDE DERIVATIVES Novartis AG (CH) 2003-03-12 — — EP disclosed
WO-2001089282-A2 2-AMINO-3-HYDROXY-4-TERT-LEUCYL-AMINO-5-PHENYL-PENTANOIC ACID AMIDE DERIVATIVES NOVARTIS AG (CH) 2001-11-29 — — WO 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 (2 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-20030166572-A1 2-Amino-3-hydroxy-4-tert-leucyl-amino-5 phenyl-pentanoic acid amide derivatives AADAT, ABAT, TTR ATM 2356/4885KLK5 2585/4885PSMB11 3049/4885
US-20060205673-A1 2-Amino-3-hydroxy-4-tert-leucyl-amino-5-phenyl-pentanoic acid amide derivatives AADAT, ABAT, ALB ATM 2480/4885KLK5 2782/4885PSMB11 3104/4885

“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.