SCHEMBL3485693

SCHEMBL3485693

COC(=O)CCCCCCCCCCCCCCCONC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 6/20 0.40
CA12 O43570 5/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 5/20 0.38
CA9 Q16790 4/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37

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
SCHEMBL7519278 0.87 PAOX (0.42) CA2CA12TDP1CA1CA9
SCHEMBL5495283 0.86 CYP1A2 (0.45) TSHRALDH1A1CA2CA12TDP1
SCHEMBL3486013 0.85 ALDH1A1 (0.47) TSHRLMNAALDH1A1CA2CA12
SCHEMBL5490052 0.85 ALDH1A1 (0.47) TSHRLMNAALDH1A1CA2CA12
SCHEMBL992117 0.85 ALDH1A1 (0.47) TSHRLMNAALDH1A1CA2CA12
SCHEMBL15332859 0.83 TDP1 (0.41) CA2CA12CA14TDP1CA1
SCHEMBL15341460 0.81 EPHX1 (0.46) CA2CA12CA14TDP1CA1
SCHEMBL5493650 0.81 TDP1 (0.59) CA2CA12TDP1CA1CA9
SCHEMBL7527615 0.81 EPHX1 (0.46) CA2CA12CA14TDP1CA1
SCHEMBL5498803 0.81 TDP1 (0.42) CA2CA12CA14TDP1CA1

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-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-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

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-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest GALE, GALNT2, GALNT1 TSHR 1226/4885LMNA 2892/4885ALDH1A1 244/4885
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 TSHR 1226/4885LMNA 2892/4885ALDH1A1 244/4885
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 TSHR 1226/4885LMNA 2892/4885ALDH1A1 244/4885

“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.