Sugi Predict

Sugi Predict / Compounds / SCHEMBL6534751

SCHEMBL6534751

SCHEMBL6534751

NCCCC[C@H](NC(=O)[C@H](CCS)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.61
▸ ACE P12821 1/20 0.60
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ ITGB3 P05106 4/20 0.56
▸ ITGA2B P08514 4/20 0.56
▸ SIRT2 Q8IXJ6 3/20 0.55
▸ SIRT1 Q96EB6 3/20 0.55
▸ SIRT3 Q9NTG7 2/20 0.55
▸ CTSL P07711 2/20 0.53
▸ TLR2 O60603 2/20 0.53
▸ CTSS P25774 1/20 0.51
▸ FOLH1 Q04609 1/20 0.50
▸ DPP4 P27487 1/20 0.50
▸ MME P08473 1/20 0.49

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
SCHEMBL24188458 0.91 ECE1 (0.62) ECE1ACECPB1CPB2ITGB3
SCHEMBL287474 0.90 ITGB3 (0.66) ECE1ACECPB1CPB2ITGB3
SCHEMBL6476819 0.90 ITGB3 (0.66) ECE1ACECPB1CPB2ITGB3
SCHEMBL287475 0.90 ITGB3 (0.66) ECE1ACECPB1CPB2ITGB3
SCHEMBL15968143 0.90 ITGB3 (0.66) ECE1ACECPB1CPB2ITGB3
SCHEMBL7286230 0.89 ACE (0.65) ECE1ACECPB1CPB2ITGB3
SCHEMBL29791126 0.89 ACE (0.65) ECE1ACECPB1CPB2ITGB3
SCHEMBL3798997 0.89 ECE1 (0.69) ECE1ACECPB1CPB2ITGB3
SCHEMBL3799001 0.89 ECE1 (0.69) ECE1ACECPB1CPB2ITGB3
Hydrochloric Acid SCHEMBL21219335 0.89 ITGB3 (0.65) ECE1ACECPB1CPB2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109928-A4 ENZYMATIC OXIDATIVE DEAMINATION PROCESS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 — — EP disclosed
US-6649387-B2 From dipeptides BRISTOL-MYERS SQUIBB COMPANY 2003-11-18 — — US disclosed
US-6515170-B1 The present invention concerns an enzymatic oxidative deamination process to prepare an intermediate useful to prepare compounds having endopeptidase and angiotensin converting enzyme inhibition activity. BRISTOL-MYERS SQUIBB CO. 2003-02-04 — — US disclosed
US-20020025566-A1 Enzymatic oxidative deamination process PATEL RAMESH N (US) 2002-02-28 — — US disclosed
US-6261810-B1 PREPARING SPECIFIC AMINO LACTAM COMPOUND BY CONTACTING DIPEPTIDE MONOMER WITH AMINOTRANSFERASE IN PRESENCE OF ALPHA-KETOGLUTARATE; FORMING CHEMICAL INTERMEDIATES OF INHIBITORS OF ENDOPEPTIDASE AND ANGIOTENSIN CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 — — US disclosed
EP-1109928-A1 ENZYMATIC OXIDATIVE DEAMINATION PROCESS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-27 — — EP disclosed
WO-2000014265-A1 ENZYMATIC OXIDATIVE DEAMINATION PROCESS BRISTOL-MYERS SQUIBB CO. (US) 2000-03-16 — — 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 (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-20020025566-A1 Enzymatic oxidative deamination process DNPEP, PEPD, ACE ECE1 25/4885ACE 3/4885CPB1 36/4885

“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.