SCHEMBL3487670

SCHEMBL3487670

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.65
ANPEP P15144 1/20 0.51
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
LTA4H P09960 1/20 0.51
CAPN1 P07384 4/20 0.49
CTSK P43235 1/20 0.49
LARS1 Q9P2J5 1/20 0.49

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
SCHEMBL8260887 1.00 CTSB (0.65) CTSBANPEPRNPEPDNPEPLTA4H
SCHEMBL30371890 0.94 CTSB (0.58) CTSBLTA4H
SCHEMBL8087320 0.93 CTSB (0.57) CTSBANPEPRNPEPDNPEPLTA4H
SCHEMBL23463561 0.89 CTSB (0.58) CTSBANPEPRNPEPDNPEPLTA4H
SCHEMBL20204693 0.87 CTSC (0.58) CTSBLTA4HCAPN1
SCHEMBL20204691 0.87 CTSC (0.58) CTSBLTA4HCAPN1
SCHEMBL3497501 0.86 CTSB (0.53) CTSBLTA4HCAPN1
SCHEMBL19365037 0.86 CTSB (0.53) CTSBLTA4HCAPN1
SCHEMBL14623960 0.85 CTSB (0.54) CTSBCAPN1
SCHEMBL2740206 0.85 CTSB (0.54) CTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 WO disclosed
WO-2014018807-A1 PEPTIDE EPOXYKETONE COMPOUNDS CENTRAX INTERNATIONAL, INC. (US) 2014-01-30 WO disclosed
US-20100068147-A1 DENGUE DIAGNOSIS AND TREATMENT Agency for Science , Technology and Research (SG) 2010-03-18 US disclosed
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 (3 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 CTSB 53/4885ANPEP 69/4885RNPEP 62/4885
US-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL CTSB 8/4885ANPEP 61/4885RNPEP 54/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CTSB 8/4885ANPEP 61/4885RNPEP 54/4885

“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.