SCHEMBL3486013

SCHEMBL3486013

CC(C)(C)OC(=O)NOCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
EPHX2 P34913 1/20 0.41
TSHR P16473 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TLR2 O60603 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL992117 1.00 ALDH1A1 (0.47) ALDH1A1EPHX2TSHRTDP1LMNA
SCHEMBL5490052 1.00 ALDH1A1 (0.47) ALDH1A1EPHX2TSHRTDP1LMNA
SCHEMBL7519278 0.88 PAOX (0.42) TDP1CA12CA1CA2CA9
SCHEMBL8374138 0.86 MEN1 (0.39) TDP1LMNACA12CA1CA2
SCHEMBL3485693 0.85 TSHR (0.44) ALDH1A1TSHRTDP1LMNACA12
SCHEMBL3486237 0.84 TDP1 (0.43) EPHX2TSHRTDP1LMNACA12
SCHEMBL15341460 0.83 EPHX1 (0.46) TDP1CA12CA1CA2CA9
SCHEMBL7527615 0.83 EPHX1 (0.46) TDP1CA12CA1CA2CA9
SCHEMBL5493650 0.83 TDP1 (0.59) TDP1CA12CA1CA2CA9
SCHEMBL5498803 0.83 TDP1 (0.42) TDP1CA12CA1CA2CA9

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 ALDH1A1 244/4885EPHX2 2200/4885TSHR 1226/4885
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 ALDH1A1 244/4885EPHX2 2200/4885TSHR 1226/4885
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 ALDH1A1 244/4885EPHX2 2200/4885TSHR 1226/4885

“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.