SCHEMBL969726

SCHEMBL969726

CC(=O)O[C@@H]1[C@@H](OCc2ccccc2)[C@H](O)[C@@H](CO)O[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 3/20 0.50
SLC6A2 P23975 1/20 0.48
LGALS9 O00182 4/20 0.45
LGALS3 P17931 4/20 0.44
LGALS1 P09382 2/20 0.44
LGALS7; LGALS7B P47929 2/20 0.44
TACR2 P21452 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPN1 P18031 1/20 0.40
CD69 Q07108 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL969725 1.00 LGALS8 (0.50) LGALS8SLC6A2LGALS9LGALS3LGALS1
SCHEMBL12917696 0.89 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3LGALS1
SCHEMBL970381 0.89 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3LGALS1
SCHEMBL8328074 0.89 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3LGALS1
SCHEMBL8328068 0.89 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3LGALS1
SCHEMBL970383 0.89 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3LGALS1
SCHEMBL10600547 0.89 TACR2 (0.44) LGALS8SLC6A2TACR2TSHRALDH1A1
SCHEMBL22677476 0.88 LGALS8 (0.48) LGALS8SLC6A2LGALS9LGALS3LGALS1
SCHEMBL10526425 0.88 LGALS8 (0.55) LGALS8SLC6A2LGALS9LGALS3LGALS1
SCHEMBL20741969 0.87 SLC6A2 (0.56) LGALS8SLC6A2LGALS9LGALS3LGALS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149489-B2 Inhibitors of glycolysis useful in the treatment of brain tumors BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2015-10-06 US disclosed
EP-2235030-B1 COMPOUND OF THE DISACCHARIDE TYPE COMPOSITION COMPRISING AND METHOD FOR PRODUCING SUCH A COMPOUND Université de Picardie Jules Verne (FR) 2015-08-12 EP disclosed
US-20110003758-A1 Inhibitors of Glycolysis Useful In the Treatment of Brain Tumors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-06 US disclosed
EP-2235030-A1 COMPOUND OF THE DISACCHARIDE TYPE COMPOSITION COMPRISING AND METHOD FOR PRODUCING SUCH A COMPOUND Université de Picardie Jules Verne (FR) 2010-10-06 EP disclosed
WO-2009108926-A1 INHIBITORS OF GLYCOLYSIS USEFUL IN THE TREATMENT OF BRAIN TUMORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-09-03 WO disclosed
WO-2009098400-A1 COMPOUND OF THE DISACCHARIDE TYPE COMPOSITION COMPRISING AND METHOD FOR PRODUCING SUCH A COMPOUND UNIVERSITE DE PICARDIE JULES VERNE (FR) 2009-08-13 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 (1 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-20110003758-A1 Inhibitors of Glycolysis Useful In the Treatment of Brain Tumors PDK2, G6PD, PCK2 LGALS8 2115/4885SLC6A2 1422/4885LGALS9 2366/4885

“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.