SCHEMBL10344951

SCHEMBL10344951

CC(C)C[C@H](NC(=O)CNC(=O)c1cnccn1)B(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 14/20 1.00
PSMB11 A5LHX3 10/20 1.00
PSMA7 O14818 10/20 1.00
PSMB1 P20618 10/20 1.00
PSMA1 P25786 10/20 1.00
PSMA2 P25787 10/20 1.00
PSMA3 P25788 10/20 1.00
PSMA4 P25789 10/20 1.00
PSMB8 P28062 10/20 1.00
PSMB9 P28065 10/20 1.00
PSMA5 P28066 10/20 1.00
PSMB4 P28070 10/20 1.00
PSMB6 P28072 10/20 1.00
PSMB10 P40306 10/20 1.00
PSMB3 P49720 10/20 1.00
PSMB2 P49721 10/20 1.00
PSMA6 P60900 10/20 1.00
PSMA8 Q8TAA3 10/20 1.00
PSMB7 Q99436 10/20 1.00
LONP1 P36776 12/20 0.69

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
SCHEMBL18175253 0.98 PSMB5 (0.95) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL18175249 0.91 PSMB5 (0.84) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL12340819 0.88 PSMB5 (0.79) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL12340816 0.88 PSMB5 (0.79) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL21759005 0.85 PSMB5 (0.74) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL18175252 0.84 PSMB5 (0.83) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL22787115 0.82 LONP1 (1.00) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL21210367 0.82 LONP1 (1.00) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL15699269 0.82 LONP1 (1.00) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL19790164 0.81 PSMB5 (0.69) PSMB5PSMB11PSMA7PSMB1PSMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250237-A1 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF BACH BIOSCIENCES, LLC 2016-09-01 US disclosed
US-9192646-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-11-24 US disclosed
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof BACH BIOSCIENCES, LLC 2015-06-11 US disclosed
US-8933056-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-01-13 US disclosed
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2014-05-08 US disclosed
US-8563533-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-10-22 US disclosed
US-8268880-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-09-18 US disclosed
US-8268880-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-09-18 US disclosed
WO-2012096919-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 WO disclosed
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE OFFICE OF TECHNOLOGY AND INDUSTRY COLLABORATION (US) 2009-05-14 US disclosed
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE OFFICE OF TECHNOLOGY AND INDUSTRY COLLABORATION (US) 2009-05-14 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 (4 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-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD PSMB5 142/4885PSMB11 223/4885PSMA7 165/4885
US-20160250237-A1 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF PREP, DPP4, PEPD PSMB5 142/4885PSMB11 223/4885PSMA7 165/4885
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD PSMB5 142/4885PSMB11 223/4885PSMA7 165/4885
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD PSMB5 142/4885PSMB11 223/4885PSMA7 165/4885

“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.