SCHEMBL3485350

SCHEMBL3485350

CC(C)(C)OC(=O)N(CCOCCNC(=O)OCc1ccccc1)CCOCCNC(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 1/20 0.66
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 2/20 0.49
IDO1 P14902 1/20 0.48
HTT P42858 1/20 0.47
SYK P43405 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
TGM2 P21980 1/20 0.43
BACE1 P56817 2/20 0.42
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 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
SCHEMBL21107218 0.90 SMN1; SMN2 (0.51) SMN1; SMN2LMNAL3MBTL1IDO1HTT
SCHEMBL15613005 0.89 SMN1; SMN2 (0.55) SMN1; SMN2LMNAL3MBTL1MAPTIDO1
SCHEMBL12196470 0.86 SMN1; SMN2 (0.76) SMN1; SMN2LMNAL3MBTL1MAPTIDO1
SCHEMBL11990357 0.85 SMN1; SMN2 (0.64) SMN1; SMN2LMNAL3MBTL1MAPTIDO1
SCHEMBL17190637 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1MAPTIDO1
SCHEMBL34475270 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1MAPTIDO1
SCHEMBL31421118 0.85 SMN1; SMN2 (0.48) SMN1; SMN2LMNAL3MBTL1MAPTIDO1
SCHEMBL17972790 0.84 SMN1; SMN2 (0.63) SMN1; SMN2LMNAL3MBTL1MAPTIDO1
SCHEMBL9766293 0.84 LMNA (0.51) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL22123600 0.84 HTT (0.53) SMN1; SMN2LMNAL3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 US disclosed
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 US disclosed
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 US disclosed
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-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-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-20090240028-A1 Synthesis and Application of New Structural Well Defined Branched Polymers as Conjugating Agents for Peptides NOVO NORDISK A/S (DK) 2009-09-24 US disclosed
US-20090240028-A1 Synthesis and Application of New Structural Well Defined Branched Polymers as Conjugating Agents for Peptides NOVO NORDISK A/S (DK) 2009-09-24 US disclosed
US-20090240028-A1 Synthesis and Application of New Structural Well Defined Branched Polymers as Conjugating Agents for Peptides NOVO NORDISK A/S (DK) 2009-09-24 US disclosed
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers NOVO NORDISK A/S (DK) 2009-02-05 US disclosed
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers NOVO NORDISK A/S (DK) 2009-02-05 US disclosed
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers NOVO NORDISK A/S (DK) 2009-02-05 US disclosed
EP-1853321-A2 INSULINOTROPIC AGENTS CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS NOVO NORDISK A/S (DK) 2007-11-14 EP disclosed
EP-1843790-A2 INSULIN DERIVATIVES CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS NOVO NORDISK A/S (DK) 2007-10-17 EP disclosed
US-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest NOVO NORDISK HEALTHCARE A/G (CH) 2006-09-07 US disclosed
WO-2006087354-A2 INSULINOTROPIC AGENTS CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS NOVO NORDISK A/S (DK) 2006-08-24 WO disclosed
US-20060182714-A1 Synthesis and application of new structural well defined branched polymers as conjugating agents for peptides NOVO NORDISK A/S (DK) 2006-08-17 US disclosed
WO-2006079641-A2 INSULIN DERIVATIVES CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS NOVO NORDISK A/S (DK) 2006-08-03 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 (6 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-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest GALE, GALNT2, GALNT1 SMN1; SMN2 2643/4885LMNA 2892/4885L3MBTL1 3369/4885
US-20060182714-A1 Synthesis and application of new structural well defined branched polymers as conjugating agents for peptides VIP, PTMS, PDGFA SMN1; SMN2 2961/4885LMNA 2123/4885L3MBTL1 2943/4885
US-20090240028-A1 Synthesis and Application of New Structural Well Defined Branched Polymers as Conjugating Agents for Peptides VIP, PTMS, PDGFA SMN1; SMN2 2961/4885LMNA 2123/4885L3MBTL1 2943/4885
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 SMN1; SMN2 2643/4885LMNA 2892/4885L3MBTL1 3369/4885
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers INSR, IAPP, IGF1R SMN1; SMN2 1930/4885LMNA 2718/4885L3MBTL1 2277/4885
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 SMN1; SMN2 2643/4885LMNA 2892/4885L3MBTL1 3369/4885

“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.