SCHEMBL13498562

SCHEMBL13498562

COC(=O)NCCCC[C@H](NC(=O)OC)C(=O)NCCCCON

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 4/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.46
▸ EPHX1 P07099 1/20 0.42
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CPB1 P15086 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ SIRT2 Q8IXJ6 3/20 0.38
▸ SIRT3 Q9NTG7 2/20 0.38
▸ TLR2 O60603 3/20 0.37
▸ GLP1R P43220 3/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL17722384 1.00 SIRT1 (0.46) SIRT1SIRT6EPHX1CA1CA2
SCHEMBL14262320 0.90 SIRT1 (0.44) SIRT1SIRT6EPHX1CA1CA2
SCHEMBL13780259 0.89 SIRT1 (0.43) SIRT1SIRT6EPHX1CA1CA2
SCHEMBL24431370 0.87 SIRT1 (0.53) SIRT1SIRT6EPHX1CA1CA2
SCHEMBL13498651 0.85 EPHX1 (0.62) SIRT1SIRT6EPHX1SIRT2SIRT3
SCHEMBL13498644 0.85 EPHX1 (0.53) SIRT1SIRT6EPHX1SIRT2SIRT3
SCHEMBL13498646 0.85 EPHX1 (0.57) SIRT1SIRT6EPHX1SIRT2SIRT3
SCHEMBL13901982 0.83 CPB1 (0.46) SIRT1SIRT6EPHX1CPB1CPB2
SCHEMBL14805675 0.83 SIRT1 (0.46) SIRT1SIRT6EPHX1CA1CA2
SCHEMBL13661424 0.82 EPHX1 (0.45) SIRT1SIRT6EPHX1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest NOVO NORDISK HEALTHCARE A/G (CH) 2010-02-04 — — US disclosed
US-20090264366-A1 Transglutaminase Mediated Conjugation of Peptides NOVO NORDISK HEALTHCARE AG (CH) 2009-10-22 — — US disclosed
US-20070105770-A1 Transglutaminase mediated conjugation of peptides NOVO NORDISK A/S (DK) 2007-05-10 — — US 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 SIRT1 3541/4885SIRT6 3143/4885EPHX1 2027/4885
US-20070105770-A1 Transglutaminase mediated conjugation of peptides TGM2, TGM3, TGM1 SIRT1 3541/4885SIRT6 3143/4885EPHX1 2027/4885
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 SIRT1 1927/4885SIRT6 1782/4885EPHX1 1722/4885

“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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