SCHEMBL14217232

SCHEMBL14217232

CC(=O)NC1[C@H](O[C@@H]2C(O)[C@H](O[C@@H]3C(CO)OC(O)C(O)[C@H]3O)OC(CO)[C@@H]2O)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 7/20 0.63
LGALS8 O00214 2/20 0.63
LGALS4 P56470 2/20 0.63
CD69 Q07108 1/20 0.53
CHIA Q9BZP6 1/20 0.52
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
LGALS1 P09382 1/20 0.48
LGALS7; LGALS7B P47929 1/20 0.48
AMY2A P04746 2/20 0.48
LGALS9 O00182 1/20 0.47
FGF1 P05230 1/20 0.47
FGF2 P09038 1/20 0.47
VEGFA P15692 1/20 0.47
HPSE Q9Y251 1/20 0.47

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
SCHEMBL31701597 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL31701427 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL16360849 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL13747867 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL181379 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL16527289 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL19561594 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL15790585 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL22193218 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL31700500 1.00 LGALS3 (0.63) LGALS3LGALS8LGALS4CD69CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161350-A1 TERNARY MIXTURES OF 6'-SL, LNnT and LST c GLYCOM A/S (DK) 2018-06-14 US disclosed
US-20180163185-A1 MUTATED SIALIDASES GLYCOM A/S (DK) 2018-06-14 US disclosed
US-9963729-B2 Diversification of human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2018-05-08 US disclosed
US-20160289721-A1 DIVERSIFICATION OF HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2016-10-06 US disclosed
US-9382564-B2 Diversification of human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2016-07-05 US disclosed
US-9234225-B2 Method for generating human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2016-01-12 US disclosed
US-20150239923-A1 SYNTHESIS OF A TETRASACCHARIDE CONTAINING N-ACETYLLACTOSAMINE GLYCOM A/S (DK) 2015-08-27 US disclosed
US-8993740-B2 Method for preparation of the tetrasaccharide lacto-N-neotetraose (LNnt) containing N-acetyllactosamine GLYCOM A/S (DK) 2015-03-31 US disclosed
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2014-08-21 US disclosed
US-20140235850-A1 SYNTHESIS OF HMO CORE STRUCTURES GLYCOM A/S (DK) 2014-08-21 US disclosed
US-20140212930-A1 DIVERSIFICATION OF HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2014-07-31 US disclosed
US-20120309949-A1 METHOD FOR PREPARATION OF THE TETRASACCHARIDE LACTO-N-NEOTETRAOSE (LNNT) CONTAINING N-ACETYLLACTOSAMINE GLYCOM A/S (DK) 2012-12-06 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 (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-20140235850-A1 SYNTHESIS OF HMO CORE STRUCTURES GNE, OGT, GALE LGALS3 165/4885LGALS8 134/4885LGALS4 127/4885
US-20180163185-A1 MUTATED SIALIDASES NEU4, NEU2, NEU1 LGALS3 499/4885LGALS8 400/4885LGALS4 410/4885
US-20120309949-A1 METHOD FOR PREPARATION OF THE TETRASACCHARIDE LACTO-N-NEOTETRAOSE (LNNT) CONTAINING N-ACETYLLACTOSAMINE B3GNT2, NANS, FUT5 LGALS3 112/4885LGALS8 126/4885LGALS4 145/4885
US-20180161350-A1 TERNARY MIXTURES OF 6'-SL, LNnT and LST c ST6GAL1, GALNT6, FUT6 LGALS3 78/4885LGALS8 63/4885LGALS4 106/4885
US-20150239923-A1 SYNTHESIS OF A TETRASACCHARIDE CONTAINING N-ACETYLLACTOSAMINE FUT6, B3GNT2, FUT5 LGALS3 352/4885LGALS8 294/4885LGALS4 221/4885
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF LCT, B4GALT1, GALNT1 LGALS3 193/4885LGALS8 176/4885LGALS4 186/4885

“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.