SCHEMBL2735640

SCHEMBL2735640

CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.55
CTSK P43235 4/20 0.54
CTSB P07858 3/20 0.54
CPA1 P15085 2/20 0.52
CPA2 P48052 2/20 0.52
CPA4 Q9UI42 2/20 0.52
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
CTSS P25774 1/20 0.47

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
SCHEMBL2632715 0.89 CPA1 (0.49) CTSLCTSKCPA1CPA2CPA4
SCHEMBL14208693 0.88 CTSL (0.49) CTSLCTSKCTSBCPA1CPA2
SCHEMBL14208695 0.88 CTSL (0.56) CTSLCTSKCTSBCPA1CPA2
SCHEMBL14208668 0.86 CTSL (0.49) CTSLCTSKCTSBCPA1CPA2
SCHEMBL2633272 0.84 CPA1 (0.56) CTSLCPA1CPA2CPA4MMP1
SCHEMBL14208697 0.83 CTSL (0.47) CTSLCTSKCTSBCPA1CPA2
SCHEMBL14208804 0.83 CTSL (0.52) CTSLCTSKCTSBCPA1CPA2
SCHEMBL14208821 0.83 CTSL (0.47) CTSLCTSKCTSBCPA1CPA2
SCHEMBL2735644 0.83 CTSL (0.47) CTSLCTSKCTSBCPA1CPA2
SCHEMBL2632695 0.81 CPA1 (0.62) CPA1CPA2CPA4MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 CTSL 174/4885CTSK 122/4885CTSB 72/4885

“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.