SCHEMBL2803528

SCHEMBL2803528

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.66
CTSK P43235 5/20 0.66
REN P00797 3/20 0.54
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
ACE P12821 2/20 0.50
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
PPARA Q07869 2/20 0.48
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
PPARG P37231 1/20 0.46

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
SCHEMBL2801456 1.00 CTSS (0.66) CTSSCTSKRENCTSLCTSB
SCHEMBL16417904 0.90 CTSS (0.67) CTSSCTSKCTSLCTSBACE
SCHEMBL18401283 0.90 CTSS (0.67) CTSSCTSKCTSLCTSBACE
SCHEMBL15344147 0.89 CTSS (0.61) CTSSCTSKRENCTSLCTSB
SCHEMBL19575827 0.89 REN (0.54) CTSSCTSKRENCTSLCTSB
SCHEMBL20661658 0.89 REN (0.54) CTSSCTSKRENCTSLCTSB
SCHEMBL4710784 0.89 REN (0.54) CTSSCTSKRENCTSLCTSB
SCHEMBL4710782 0.89 REN (0.54) CTSSCTSKRENCTSLCTSB
SCHEMBL14975662 0.89 REN (0.54) CTSSCTSKRENCTSLCTSB
SCHEMBL18227039 0.89 REN (0.54) CTSSCTSKRENCTSLCTSB

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986694-B1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTHCARE AG (CH) 2015-06-10 EP disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (CH) 2014-02-13 US disclosed
WO-2011011865-A1 ANTICANCER AGENTS BASED ON AMINO ACID DERIVATIVES 3R VALO, S.E.C. (CA) 2011-02-03 WO disclosed
US-20100113747-A1 Coupling of Antibody Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2010-05-06 US disclosed
US-20100113747-A1 Coupling of Antibody Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2010-05-06 US disclosed
US-20100113747-A1 Coupling of Antibody Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2010-05-06 US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 US disclosed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 US disclosed
US-20070111926-A1 Conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-17 US disclosed
EP-1673464-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2006-06-28 EP disclosed
WO-2005035553-A2 CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2005-04-21 WO disclosed
US-6770740-B1 PEPTIDE- DNA CARRIER COMPOSITIONS AND CONDENSED PARTICLES WITH REDUCED TOXICITY AND INCREASED STABILITY; USED IN COMBINATION WITH BIOCOMPATIBLE MATRICES, CARRIERS AND/OR TARGETING AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2004-08-03 US disclosed
CN-1143859-C Camptothecin derivative and its preparation ������ҩ��ʽ���� 2004-03-31 CN disclosed
CN-1075501-C Camptothecin derivatives, preparation method, intermediate and application TANABE SEIYAKU CO (JP) 2001-11-28 CN disclosed
CN-1308078-A Camptothecin derivative and its preparation TANADE SEIYAKU CO LTD (JP) 2001-08-15 CN disclosed
WO-2001004135-A2 CROSSLINKED DNA CONDENSATE COMPOSITIONS AND GENE DELIVERY METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2001-01-18 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 (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-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides PTMS, DNPEP, VIP CTSS 781/4885CTSK 660/4885REN 2096/4885
US-20140045753-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS PTMS, VIP, LNPEP CTSS 1145/4885CTSK 746/4885REN 2903/4885
US-20100113747-A1 Coupling of Antibody Polypeptides at the C-Terminus FCGRT, FCGR3B, FCGR2A CTSS 2465/4885CTSK 2108/4885REN 2533/4885
US-20070111926-A1 Conjugation of peptides DNPEP, ENPEP, ANPEP CTSS 248/4885CTSK 128/4885REN 1297/4885

“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.