SCHEMBL8138593

SCHEMBL8138593

COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COC)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.59
PPARA Q07869 3/20 0.57
SYK P43405 1/20 0.54
CTSK P43235 6/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 2/20 0.52
PPARG P37231 2/20 0.52
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
REN P00797 2/20 0.49
RAB9A P51151 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
SCHEMBL8138595 0.96 PPARA (0.60) CTSSPPARASYKCTSKCTSL
SCHEMBL15569246 0.96 PPARA (0.60) CTSSPPARASYKCTSKCTSL
SCHEMBL31372427 0.96 PPARA (0.60) CTSSPPARASYKCTSKCTSL
SCHEMBL8129917 0.94 CTSS (0.57) CTSSPPARACTSKCTSLCTSB
SCHEMBL15569444 0.93 CTSS (0.53) CTSSPPARASYKCTSKCTSL
SCHEMBL15569446 0.93 CTSS (0.53) CTSSPPARASYKCTSKCTSL
SCHEMBL16925147 0.93 CTSS (0.53) CTSSPPARASYKCTSKCTSL
SCHEMBL16464139 0.91 CTSK (0.54) CTSSPPARASYKCTSKCTSL
SCHEMBL8123190 0.91 CTSS (0.57) CTSSPPARASYKCTSKCTSL
SCHEMBL16464142 0.91 CTSK (0.54) CTSSPPARASYKCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464321-B1 PROTEASOME INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-01-25 EP disclosed
US-11345724-B2 Proteasome inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2022-05-31 US disclosed
US-20200325171-A1 PROTEASOME INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-10-15 US disclosed
WO-2017211818-A1 PROTEASOME INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-12-14 WO disclosed
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2017-09-14 US disclosed
US-8716322-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-05-06 US disclosed
US-20100240903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2010-09-23 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-20200325171-A1 PROTEASOME INHIBITORS PSMB1, PSMB2, PSMB5 CTSS 1444/4885PPARA 3989/4885SYK 3844/4885
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 CTSS 125/4885PPARA 3489/4885SYK 2473/4885
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 CTSS 88/4885PPARA 4132/4885SYK 3079/4885
US-11345724-B2 Proteasome inhibitors PSMB1, PSMB2, PSMB5 CTSS 1305/4885PPARA 4206/4885SYK 3771/4885
US-20090203698-A1 Compounds for Enzyme Inhibition ANPEP, HPN, DNPEP CTSS 177/4885PPARA 3784/4885SYK 2824/4885
US-20100240903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTSC, PEPD CTSS 79/4885PPARA 2055/4885SYK 4043/4885

“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.