SCHEMBL8129093

SCHEMBL8129093

COC[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRL P40313 12/20 0.75
TMPRSS11D O60235 5/20 0.72
PSMB8 P28062 6/20 0.52
MME P08473 1/20 0.51
PSMB5 P28074 5/20 0.50
PSMB11 A5LHX3 3/20 0.50
PSMA7 O14818 3/20 0.50
PSMB1 P20618 3/20 0.50
PSMA1 P25786 3/20 0.50
PSMA2 P25787 3/20 0.50
PSMA3 P25788 3/20 0.50
PSMA4 P25789 3/20 0.50
PSMB9 P28065 3/20 0.50
PSMA5 P28066 3/20 0.50
PSMB4 P28070 3/20 0.50
PSMB6 P28072 3/20 0.50
PSMB10 P40306 3/20 0.50
PSMB3 P49720 3/20 0.50
PSMB2 P49721 3/20 0.50
PSMA6 P60900 3/20 0.50

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
SCHEMBL8137594 0.96 CTRL (0.74) CTRLTMPRSS11DPSMB8MMEPSMB5
SCHEMBL8131859 0.95 CTRL (0.77) CTRLTMPRSS11DPSMB8MMEPSMB5
SCHEMBL8137585 0.94 CTRL (0.67) CTRLTMPRSS11DPSMB8PSMB5PSMB11
SCHEMBL8132138 0.93 CTRL (0.74) CTRLTMPRSS11DPSMB8MMEPSMB5
SCHEMBL8135866 0.92 CTRL (0.88) CTRLTMPRSS11DPSMB8PSMB5PSMB11
SCHEMBL19341742 0.92 CTRL (0.88) CTRLTMPRSS11DPSMB8PSMB5PSMB11
SCHEMBL14538051 0.92 CTRL (0.88) CTRLTMPRSS11DPSMB8PSMB5PSMB11
SCHEMBL19289569 0.92 CTRL (0.88) CTRLTMPRSS11DPSMB8PSMB5PSMB11
SCHEMBL8130815 0.92 CTRL (0.79) CTRLTMPRSS11DPSMB8MMEPSMB5
SCHEMBL8122633 0.92 CTRL (0.70) CTRLTMPRSS11DPSMB8PSMB5PSMB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687456-B2 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2010-03-30 US disclosed
US-20090203698-A1 Compounds for Enzyme Inhibition PROTEOLIX, INC. (US) 2009-08-13 US disclosed
US-20070105786-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) 2007-05-10 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-20070105786-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, PSMB1, PSMB3 CTRL 25/4885TMPRSS11D 270/4885PSMB8 20/4885
US-20090203698-A1 Compounds for Enzyme Inhibition ANPEP, HPN, DNPEP CTRL 27/4885TMPRSS11D 311/4885PSMB8 20/4885

“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.