SCHEMBL13858799

SCHEMBL13858799

COC(=O)c1ccc([O])c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.64
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
PKM P14618 1/20 0.50
ERN1 O75460 1/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5734347 0.86 VCAM1 (0.68) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL30863327 0.85 VCAM1 (0.66) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL531728 0.83 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL30525281 0.83 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL193275 0.83 TSHR (0.68) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL30443852 0.83 TSHR (0.68) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL559830 0.83 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL31493 0.82 VCAM1 (0.62) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL7566531 0.82 ALDH1A1 (0.65) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL11378677 0.82 VCAM1 (0.62) VCAM1HPGDALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234225-B2 Method for generating human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2016-01-12 US disclosed
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GLYCOM A/S (DK) 2015-07-02 US disclosed
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2015-07-02 US disclosed
EP-2864492-A1 MODIFIED GALACTOOLIGOSACCHARIDES Glycom A/S (DK) 2015-04-29 EP disclosed
EP-2864344-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK Glycom A/S (DK) 2015-04-29 EP disclosed
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2014-08-21 US disclosed
EP-2707493-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF Glycom A/S (DK) 2014-03-19 EP disclosed
WO-2013190529-A1 GLYCOSYLATED GALACTOSYL DISACCHARDDES, METHODS FOR THEIR PRODUCTION AND THEIR USE IN CONSUMABLE PRODUCTS GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2013190530-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2013190531-A1 GLYCOSYLATED GALACTOSYL DISACCHARIDES, METHODS FOR THEIR PRODUCTION AND THEIR USE IN CONSUMABLE PRODUCTS GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2012156897-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2012-11-22 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 (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-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GALE, SI, FUT6 VCAM1 3437/4885HPGD 835/4885ALDH1A1 786/4885
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES FUT6, GALE, FUT5 VCAM1 1817/4885HPGD 1628/4885ALDH1A1 1176/4885
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF LCT, B4GALT1, GALNT1 VCAM1 4061/4885HPGD 373/4885ALDH1A1 2229/4885

“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.