SCHEMBL12613977

SCHEMBL12613977

CC1=C(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(=O)C(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ AKR1B1 P15121 3/20 0.41
▸ FASN P49327 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ P4HB P07237 5/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ SLCO2B1 O94956 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ EPHX2 P34913 2/20 0.33

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
SCHEMBL15944527 0.74 CA12 (0.40) CA12CA9AKR1B1FASNIDO1
SCHEMBL8984541 0.68 MKNK1 (0.39) —
SCHEMBL2534971 0.67 MKNK1 (0.33) —
SCHEMBL31490389 0.67 MKNK1 (0.33) —
SCHEMBL7155628 0.66 CA12 (0.49) CA12CA9AKR1B1KDM4EALDH1A1
SCHEMBL11209370 0.66 CA12 (0.49) CA12CA9AKR1B1KDM4EALDH1A1
SCHEMBL7155337 0.66 CA12 (0.49) CA12CA9AKR1B1KDM4EALDH1A1
SCHEMBL6812130 0.66 CA12 (0.49) CA12CA9AKR1B1KDM4EALDH1A1
SCHEMBL5691365 0.66 CA12 (0.49) CA12CA9AKR1B1KDM4EALDH1A1
SCHEMBL7155341 0.66 CA12 (0.49) CA12CA9AKR1B1KDM4EALDH1A1

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 14 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
US-20140228554-A1 SYNTHESIS OF NEW FUCOSE-CONTAINING CARBOHYDRATE DERIVATIVES GLYCOM A/S (DK) 2014-08-14 — — US disclosed
EP-2707493-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF Glycom A/S (DK) 2014-03-19 — — EP disclosed
EP-2686330-A1 SYNTHESIS OF NEW FUCOSE-CONTAINING CARBOHYDRATE DERIVATIVES Glycom A/S (DK) 2014-01-22 — — EP 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-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-2012156897-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2012-11-22 — — WO disclosed
WO-2012127410-A1 SYNTHESIS OF NEW FUCOSE-CONTAINING CARBOHYDRATE DERIVATIVES GLYCOM A/S (DK) 2012-09-27 — — 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 (4 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 CA12 464/4885CA9 926/4885AKR1B1 914/4885
US-20140228554-A1 SYNTHESIS OF NEW FUCOSE-CONTAINING CARBOHYDRATE DERIVATIVES FUCA1, FUCA2, HSD17B14 CA12 266/4885CA9 914/4885AKR1B1 181/4885
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES FUT6, GALE, FUT5 CA12 174/4885CA9 410/4885AKR1B1 1103/4885
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF LCT, B4GALT1, GALNT1 CA12 1382/4885CA9 673/4885AKR1B1 1070/4885

“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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