SCHEMBL8208025

SCHEMBL8208025

CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccc(cc2)OCCCC[C@@H](CO)NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN2 P17655 12/20 1.00
CTSB P07858 2/20 0.52
PSMB11 A5LHX3 1/20 0.52
PSMA7 O14818 1/20 0.52
CAPN1 P07384 1/20 0.52
PSMB1 P20618 1/20 0.52
PSMA1 P25786 1/20 0.52
PSMA2 P25787 1/20 0.52
PSMA3 P25788 1/20 0.52
PSMA4 P25789 1/20 0.52
PSMB8 P28062 1/20 0.52
PSMB9 P28065 1/20 0.52
PSMA5 P28066 1/20 0.52
PSMB4 P28070 1/20 0.52
PSMB6 P28072 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB10 P40306 1/20 0.52
PSMB3 P49720 1/20 0.52
PSMB2 P49721 1/20 0.52
PSMA6 P60900 1/20 0.52

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
SCHEMBL12943157 0.99 CAPN2 (1.00) CAPN2CTSBPSMB11PSMA7CAPN1
SCHEMBL931241 0.92 CAPN2 (0.85) CAPN2CTSBPSMB11PSMA7CAPN1
SCHEMBL12943083 0.91 CAPN2 (0.83) CAPN2CTSBPSMB11PSMA7CAPN1
SCHEMBL12943161 0.90 CAPN2 (0.84) CAPN2CTSBPSMB11PSMA7CAPN1
SCHEMBL8206132 0.90 CAPN2 (0.82) CAPN2MMP1MMP2MMP3MMP7
SCHEMBL8195187 0.90 CAPN2 (0.88) CAPN2CTSBPSMB11PSMA7CAPN1
SCHEMBL15869914 0.90 CAPN2 (0.82) CAPN2CTSBPSMB11PSMA7CAPN1
SCHEMBL15869911 0.90 CAPN2 (0.81) CAPN2CTSBPSMB11PSMA7CAPN1
SCHEMBL12943114 0.89 CAPN2 (0.86) CAPN2CTSBPSMB11PSMA7CAPN1
SCHEMBL930997 0.89 CAPN2 (0.80) CAPN2CTSBPSMB11PSMA7CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434762-B2 Macrocyclic cysteine protease inhibitors and compositions thereof UNIVERSITY OF CANTERBURY (NZ) 2016-09-06 US disclosed
US-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof LINCOLN UNIVERSITY (NZ) 2014-07-10 US disclosed
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof UNIVERSITY OF CANTERBURY (NZ) 2011-01-27 US disclosed
WO-2008048121-A2 MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF LINCOLN UNIVERSITY (NZ) 2008-04-24 WO 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-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 CAPN2 4/4885CTSB 11/4885PSMB11 171/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 CAPN2 4/4885CTSB 11/4885PSMB11 171/4885

“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.