SCHEMBL2632712

SCHEMBL2632712

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.51
PSEN1 P49768 6/20 0.47
PSEN2 P49810 6/20 0.47
APH1B Q8WW43 6/20 0.47
NCSTN Q92542 6/20 0.47
APH1A Q96BI3 6/20 0.47
PSENEN Q9NZ42 6/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
CTSD P07339 1/20 0.46

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
SCHEMBL2632713 0.93 CTSS (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL25361007 0.92 KLK5 (0.47) CTSKCTSLCTSSCTSB
SCHEMBL3753362 0.92 KLK5 (0.47) CTSKCTSLCTSSCTSB
SCHEMBL3753366 0.92 KLK5 (0.47) CTSKCTSLCTSSCTSB
SCHEMBL19520969 0.88 KLK5 (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL19520965 0.88 KLK5 (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL19520967 0.88 KLK5 (0.43) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL19521010 0.83 KLK5 (0.43) CTSKCTSLCTSSCTSB
SCHEMBL8270570 0.83 KLK5 (0.45) CTSKCTSLCTSSCTSB
SCHEMBL19521009 0.83 KLK5 (0.43) CTSKCTSLCTSSCTSB

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-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101026-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 REN 754/4885PSEN1 790/4885PSEN2 1069/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 REN 600/4885PSEN1 616/4885PSEN2 752/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 REN 600/4885PSEN1 616/4885PSEN2 752/4885

“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.