SCHEMBL8138118

SCHEMBL8138118

CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.59
CTSS P25774 4/20 0.58
CTSK P43235 3/20 0.58
CTSB P07858 2/20 0.58
CTSL P07711 1/20 0.58
REN P00797 8/20 0.53
AKT1 P31749 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PTPN1 P18031 1/20 0.51
CYP3A4 P08684 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL5671145 1.00 ACE (0.59) ACECTSSCTSKCTSBCTSL
SCHEMBL29613833 0.91 ACE (0.56) ACECTSSCTSKCTSBCTSL
SCHEMBL29573143 0.91 ACE (0.56) ACECTSSCTSKCTSBCTSL
SCHEMBL215178 0.91 ACE (0.56) ACECTSSCTSKCTSBCTSL
SCHEMBL268002 0.91 ACE (0.56) ACECTSSCTSKCTSBCTSL
SCHEMBL215179 0.91 ACE (0.56) ACECTSSCTSKCTSBCTSL
SCHEMBL8130117 0.90 CTSS (0.54) CTSSCTSKCTSBCTSLREN
SCHEMBL19341835 0.90 CTSS (0.54) CTSSCTSKCTSBCTSLREN
SCHEMBL5045604 0.89 ACE (0.48) ACECTSSCTSKCTSBCTSL
SCHEMBL9551322 0.89 ACE (0.72) ACECTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083421-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2016-03-24 US disclosed
US-9205126-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-9205124-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-9205125-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-8716322-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-05-06 US disclosed
US-8716322-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-05-06 US disclosed
US-20140050737-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-02-20 US disclosed
US-20140031297-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-01-30 US disclosed
US-20130130968-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-05-23 US disclosed
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 (6 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-20130130968-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP ACE 433/4885CTSS 177/4885CTSK 227/4885
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 ACE 611/4885CTSS 125/4885CTSK 171/4885
US-20140050737-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP ACE 433/4885CTSS 177/4885CTSK 227/4885
US-20140031297-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP ACE 433/4885CTSS 177/4885CTSK 227/4885
US-20160083421-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 ACE 527/4885CTSS 88/4885CTSK 205/4885
US-20090203698-A1 Compounds for Enzyme Inhibition ANPEP, HPN, DNPEP ACE 433/4885CTSS 177/4885CTSK 227/4885

“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.