SCHEMBL753691

SCHEMBL753691

NCC(O)CNC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
CTSS P25774 5/20 0.48
CTSL P07711 4/20 0.48
CAPN1 P07384 1/20 0.46
CAPN2 P17655 1/20 0.46
CTSB P07858 3/20 0.46
CTSK P43235 2/20 0.46
SIRT2 Q8IXJ6 4/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT3 Q9NTG7 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
TLR2 O60603 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL12335557 1.00 MME (0.48) MMEECE1CTSSCTSLCAPN1
SCHEMBL14433709 0.84 CTSS (0.58) MMEECE1CTSSCTSLCTSB
SCHEMBL13884485 0.84 CTSS (0.58) MMEECE1CTSSCTSLCTSB
SCHEMBL1122463 0.84 CTSS (0.58) MMEECE1CTSSCTSLCTSB
SCHEMBL8496964 0.83 SMN1; SMN2 (0.61) MMEECE1CTSSCTSLCTSB
SCHEMBL36611 0.83 SMN1; SMN2 (0.61) MMEECE1CTSSCTSLCTSB
SCHEMBL13671074 0.82 CTSS (0.50) MMEECE1CTSSCTSLCAPN1
SCHEMBL757049 0.82 CTSS (0.50) MMEECE1CTSSCTSLCAPN1
SCHEMBL12109818 0.82 SMN1; SMN2 (0.54) MMEECE1CTSSCTSLCTSB
Hydroxyamine SCHEMBL9197242 0.82 SMN1; SMN2 (0.60) MMEECE1CTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842576-B1 Transglutaminase mediated conjugation of peptides NOVO NORDISK HEALTHCARE AG (CH) 2017-06-28 EP disclosed
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2016-12-08 US disclosed
CN-103215328-B The joint of transglutaminase mediated peptide 诺和诺德医疗保健公司 2016-08-03 CN disclosed
CN-1909930-B Transglutaminase mediated conjugation of peptides NOVO NORDISK HEALTH CARE AG (CH) 2015-12-16 CN disclosed
EP-2842576-A1 Transglutaminase mediated conjugation of peptides Novo Nordisk Health Care AG (CH) 2015-03-04 EP disclosed
EP-2033662-B1 Transglutaminase mediated conjugation of peptides NOVO NORDISK HEALTHCARE AG (CH) 2012-10-17 EP disclosed
EP-1708755-B1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK HEALTHCARE AG (CH) 2012-03-21 EP disclosed
EP-2368579-A1 Transglutaminase mediated conjugation of peptides Novo Nordisk Health Care AG (CH) 2011-09-28 EP disclosed
US-20090264366-A1 Transglutaminase Mediated Conjugation of Peptides NOVO NORDISK HEALTHCARE AG (CH) 2009-10-22 US disclosed
EP-2033662-A1 Transglutaminase mediated conjugation of peptides Novo Nordisk Health Care AG (CH) 2009-03-11 EP disclosed
US-20070105770-A1 Transglutaminase mediated conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-10 US disclosed
EP-1708755-A2 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2006-10-11 EP disclosed
WO-2005070468-A2 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2005-08-04 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-20090264366-A1 Transglutaminase Mediated Conjugation of Peptides TGM2, TGM3, TGM1 MME 405/4885ECE1 575/4885CTSS 629/4885
US-20070105770-A1 Transglutaminase mediated conjugation of peptides TGM2, TGM3, TGM1 MME 405/4885ECE1 575/4885CTSS 629/4885
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES TGM2, TGM3, TGM1 MME 405/4885ECE1 575/4885CTSS 629/4885

“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.