SCHEMBL16326829

SCHEMBL16326829

C=[N+]=NCCOCCOCCOCC(=O)NCCCCC(NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)NCCOCCOCCOCC(=O)NC(CCCCNC(=O)COCCOCCOCCNC(=O)C(CCCNC(=O)COCCOCCOCCN=[N+]=[N-])NC(=O)COCCOCCOCCN=[N+]=[N-])C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.46
▸ KDM4E B2RXH2 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ KDM2A Q9Y2K7 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ FOLH1 Q04609 3/20 0.31
▸ TLR2 O60603 2/20 0.31
▸ TTR P02766 1/20 0.30

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
SCHEMBL3485145 0.95 GLP1R (0.50) GLP1RKDM4EEGLN1KDM2ACTSL
SCHEMBL3485150 0.95 GLP1R (0.50) GLP1RKDM4EEGLN1KDM2ACTSL
SCHEMBL3485821 0.95 GLP1R (0.50) GLP1RKDM4EEGLN1KDM2ACTSL
SCHEMBL13498595 0.89 GLP1R (0.41) GLP1RTTR
SCHEMBL3485672 0.82 GLP1R (0.56) GLP1RTLR2
SCHEMBL3485679 0.82 GLP1R (0.56) GLP1RTLR2
SCHEMBL16326833 0.81 GLP1R (0.53) GLP1RTLR2
SCHEMBL3484885 0.80 GLP1R (0.54) GLP1RTLR2
SCHEMBL4517738 0.80 GLP1R (0.54) GLP1RTLR2
SCHEMBL18911933 0.79 GLP1R (0.45) GLP1RCTSLCTSB

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 GLP1R 2352/4885KDM4E 4442/4885EGLN1 3367/4885

“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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