SCHEMBL757490

SCHEMBL757490

CCCCCCCCCCCCCCCC(=O)N1CCC(CCON=CCNC(=O)CCC(NC(=O)OCc2ccccc2)C(=O)NCC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.54
ACHE P22303 6/20 0.54
CACNA1F O60840 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47
CACNA1C Q13936 2/20 0.47
SIRT2 Q8IXJ6 12/20 0.46
SIRT1 Q96EB6 10/20 0.44
SIRT3 Q9NTG7 7/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL4386983 1.00 BCHE (0.54) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL13671075 1.00 BCHE (0.54) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL757489 0.81 SIRT2 (0.44) BCHEACHESIRT2SIRT1SIRT3
SCHEMBL14509601 0.79 GNAI3 (0.42) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL13671064 0.75 GNAI3 (0.41) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL13671074 0.72 CTSS (0.50) SIRT2CTSLCTSS
SCHEMBL757049 0.72 CTSS (0.50) SIRT2CTSLCTSS
SCHEMBL13465369 0.72 GNAI3 (0.54) BCHEACHEITGB3ITGA2B
SCHEMBL2118680 0.71 CTSL (0.77) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL12109633 0.71 CTSL (0.59) SIRT2SIRT1SIRT3CTSLCTSS

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
EP-2842576-B1 Transglutaminase mediated conjugation of peptides NOVO NORDISK HEALTHCARE AG (CH) 2017-06-28 EP 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
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 (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-20090264366-A1 Transglutaminase Mediated Conjugation of Peptides TGM2, TGM3, TGM1 BCHE 192/4885ACHE 846/4885CACNA1F 4828/4885
US-20070105770-A1 Transglutaminase mediated conjugation of peptides TGM2, TGM3, TGM1 BCHE 192/4885ACHE 846/4885CACNA1F 4828/4885

“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.