SCHEMBL2632713

SCHEMBL2632713

COC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
PSMB5 P28074 1/20 0.49
REN P00797 5/20 0.49
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
PSEN1 P49768 6/20 0.46
PSEN2 P49810 6/20 0.46
APH1B Q8WW43 6/20 0.46
NCSTN Q92542 6/20 0.46
APH1A Q96BI3 6/20 0.46
PSENEN Q9NZ42 6/20 0.46
CTSD P07339 1/20 0.45

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
SCHEMBL2632712 0.93 REN (0.51) CTSSCTSKRENCTSLCTSB
SCHEMBL2735610 0.91 PSMB5 (0.52) PSMB5CTSLCTSB
SCHEMBL17452195 0.88 CTSS (0.63) CTSSCTSKRENCTSLCTSB
SCHEMBL2735611 0.88 PSMB5 (0.49) CTSSCTSKPSMB5CTSLCTSB
SCHEMBL8270564 0.87 CTSS (0.56) CTSSCTSKPSMB5CTSLCTSB
SCHEMBL28372334 0.86 REN (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL30485379 0.86 REN (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL8080979 0.86 REN (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL28372331 0.86 REN (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL28373438 0.86 REN (0.62) CTSSCTSKRENPSEN1PSEN2

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-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 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-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 CTSS 107/4885CTSK 122/4885PSMB5 25/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 CTSS 65/4885CTSK 79/4885PSMB5 29/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 CTSS 65/4885CTSK 79/4885PSMB5 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.