SCHEMBL8137308

SCHEMBL8137308

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
CTSS P25774 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSK P43235 1/20 0.55
KLK5 Q9Y337 2/20 0.53
CTSD P07339 1/20 0.51
REN P00797 2/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51

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
SCHEMBL8612027 0.96 CTSS (0.54) MEN1KMT2AATMCTSSCTSL
SCHEMBL8530164 0.94 PSEN1 (0.59) CTSBCTSKCTSDRENPSEN1
SCHEMBL23170193 0.91 MEN1 (0.55) MEN1KMT2AATMCTSSCTSL
SCHEMBL29861027 0.91 CTSD (0.54) MEN1KMT2AATMCTSSCTSL
SCHEMBL27738325 0.91 KLK5 (0.62) MEN1KMT2AATMCTSSCTSL
SCHEMBL7418843 0.91 KLK5 (0.62) MEN1KMT2AATMCTSSCTSL
SCHEMBL9887475 0.91 KLK5 (0.62) MEN1KMT2AATMCTSSCTSL
SCHEMBL18257547 0.90 CTSD (0.56) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL23616314 0.90 CTSD (0.56) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL24049735 0.90 CTSK (0.57) MEN1KMT2ACTSBCTSKPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396497-B2 Proteasome inhibitors NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION (US) 2022-07-26 US disclosed
US-20210363119-A1 PROTEASOME INHIBITORS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2021-11-25 US 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-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 (5 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-20210363119-A1 PROTEASOME INHIBITORS TP53, CDKN1A, PSME1 MEN1 2842/4885KMT2A 1723/4885ATM 498/4885
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 MEN1 3875/4885KMT2A 3318/4885ATM 4632/4885
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 MEN1 2628/4885KMT2A 2930/4885ATM 4834/4885
US-20090203698-A1 Compounds for Enzyme Inhibition ANPEP, HPN, DNPEP MEN1 3505/4885KMT2A 3038/4885ATM 4793/4885
US-11396497-B2 Proteasome inhibitors TP53, CDKN1A, PSME1 MEN1 2842/4885KMT2A 1723/4885ATM 498/4885

“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.