SCHEMBL24178271

SCHEMBL24178271

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
CPA1 P15085 1/20 0.48
CPA2 P48052 1/20 0.48
CPA4 Q9UI42 1/20 0.48
GNPAT O15228 1/20 0.47
MME P08473 1/20 0.46
ANPEP P15144 1/20 0.46
CASP1 P29466 1/20 0.46
CTSB P07858 3/20 0.45
CTSL P07711 1/20 0.45
LTA4H P09960 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
BACE1 P56817 1/20 0.44

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
SCHEMBL24178269 1.00 PTPN1 (0.49) PTPN1CPA1CPA2CPA4GNPAT
SCHEMBL24178265 0.95 GNPAT (0.52) PTPN1GNPATMMEANPEPCTSB
SCHEMBL24178266 0.95 GNPAT (0.52) PTPN1GNPATMMEANPEPCTSB
SCHEMBL24178184 0.94 PTPN1 (0.43) PTPN1CPA1CPA2CPA4MME
SCHEMBL24178167 0.88 CPA1 (0.52) CPA1CPA2CPA4GNPATCASP1
SCHEMBL24178183 0.87 CTSB (0.52) CPA1CPA2CPA4ANPEPCTSB
SCHEMBL24178171 0.87 CTSB (0.52) CPA1CPA2CPA4ANPEPCTSB
SCHEMBL24178166 0.85 CTSB (0.56) CPA1CPA2CPA4CTSBCTSL
SCHEMBL24178185 0.83 SMN1; SMN2 (0.46) ANPEPCTSBLTA4HBACE1
SCHEMBL25465177 0.83 CPA1 (0.50) PTPN1CPA1CPA2CPA4GNPAT

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 PTPN1 2403/4885CPA1 99/4885CPA2 134/4885
US-20220002354-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN PROTEASE INHIBITORS AND ANALOGS THEREOF LPXN, LAP3, PEPD PTPN1 2403/4885CPA1 99/4885CPA2 134/4885

“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.