SCHEMBL24178166

SCHEMBL24178166

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.56
ACE P12821 1/20 0.53
OPRD1 P41143 2/20 0.51
OPRM1 P35372 1/20 0.51
CPA1 P15085 2/20 0.50
CPA2 P48052 2/20 0.50
CPA4 Q9UI42 2/20 0.50
CMA1 P23946 1/20 0.50
CTRC Q99895 1/20 0.50
FOLH1 Q04609 1/20 0.50
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
MMP1 P03956 1/20 0.49
CPB1 P15086 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CTSL P07711 1/20 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
SCHEMBL24178168 0.94 CTSB (0.58) CTSBCPA1CPA2CPA4CMA1
SCHEMBL24178174 0.94 CTSB (0.58) CTSBCPA1CPA2CPA4CMA1
SCHEMBL13706577 0.92 CTSB (0.61) CTSBCPA1CPA2CPA4CMA1
SCHEMBL7144589 0.92 CTSB (0.61) CTSBCPA1CPA2CPA4CMA1
SCHEMBL24178167 0.91 CPA1 (0.52) CTSBACECPA1CPA2CPA4
SCHEMBL4325541 0.85 PSMB5 (0.51) CTSBOPRD1OPRM1FOLH1PSMB5
SCHEMBL4325539 0.85 PSMB5 (0.51) CTSBOPRD1OPRM1FOLH1PSMB5
SCHEMBL6248305 0.85 CTSB (0.55) CTSBCPA1CPA2CPA4CMA1
SCHEMBL24178269 0.85 PTPN1 (0.49) CTSBCPA1CPA2CPA4CTSL
SCHEMBL24178271 0.85 PTPN1 (0.49) CTSBCPA1CPA2CPA4CTSL

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-11912742-B2 Heterologous production of leupeptin protease inhibitors and analogs thereof YALE UNIVERSITY (US) 2024-02-27 US disclosed
US-20220002354-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN PROTEASE INHIBITORS AND ANALOGS THEREOF YALE UNIVERSITY 2022-01-06 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 (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-11912742-B2 Heterologous production of leupeptin protease inhibitors and analogs thereof LPXN, LAP3, PEPD CTSB 25/4885ACE 188/4885OPRD1 4256/4885
US-20220002354-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN PROTEASE INHIBITORS AND ANALOGS THEREOF LPXN, LAP3, PEPD CTSB 25/4885ACE 188/4885OPRD1 4256/4885

“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.