SCHEMBL4402523

SCHEMBL4402523

CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O.OBO

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.59
▸ MME P08473 2/20 0.57
▸ ECE1 P42892 2/20 0.57
▸ CTSK P43235 2/20 0.57
▸ CTSL P07711 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ CTSS P25774 1/20 0.57
▸ TACR1 P25103 2/20 0.55
▸ REN P00797 1/20 0.54

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
SCHEMBL4402534 1.00 CAPN1 (0.59) CAPN1MMEECE1CTSKCTSL
SCHEMBL9830575 0.96 CAPN1 (0.62) CAPN1MMEECE1CTSKCTSL
SCHEMBL1436898 0.96 CAPN1 (0.62) CAPN1MMEECE1CTSKCTSL
Carbon Dioxide SCHEMBL2254435 0.93 CTSK (0.60) CAPN1MMEECE1CTSKCTSL
SCHEMBL29576951 0.92 MME (0.63) CAPN1MMEECE1CTSKCTSL
SCHEMBL6379430 0.90 CAPN1 (0.65) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL16462972 0.90 PPARA (0.56) CAPN1MMEECE1CTSKCTSL
SCHEMBL31607495 0.90 CTSK (0.60) CAPN1MMEECE1CTSKCTSL
SCHEMBL16462974 0.90 PPARA (0.56) CAPN1MMEECE1CTSKCTSL
SCHEMBL9359914 0.89 CTSK (0.60) CAPN1CTSKCTSLCTSBCTSS

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
EP-1863513-A2 POTENT AND SPECIFIC IMMUNOPROTEASOME INHIBITORS The University of North Carolina at Chapel Hill (US) 2007-12-12 — — EP claimed
US-20060241056-A1 Potent and specific immunoproteasome inhibitors UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2006-10-26 — — US claimed
WO-2006099261-A2 POTENT AND SPECIFIC IMMUNOPROTEASOME INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-09-21 — — WO claimed
US-7589066-B2 Such as N-carbobenzyloxy-phenylalanyl-phenylalanylal; for treating cancer, inflammation, and/or autoimmune diseases; suppresses endogenous antigenic peptide generation THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-09-15 — — US disclosed
EP-1863513-A2 POTENT AND SPECIFIC IMMUNOPROTEASOME INHIBITORS The University of North Carolina at Chapel Hill (US) 2007-12-12 — — EP disclosed
US-20060241056-A1 Potent and specific immunoproteasome inhibitors UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2006-10-26 — — US disclosed
WO-2006099261-A2 POTENT AND SPECIFIC IMMUNOPROTEASOME INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-09-21 — — 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 (1 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-20060241056-A1 Potent and specific immunoproteasome inhibitors SERPINB1, DNPEP, PSMB2 CAPN1 424/4885MME 45/4885ECE1 219/4885

“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.

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