SCHEMBL970383

SCHEMBL970383

CC(=O)O[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 2/20 0.54
SLC6A2 P23975 1/20 0.53
LGALS9 O00182 3/20 0.51
LGALS3 P17931 4/20 0.47
SYNJ2 O15056 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ABL1 P00519 1/20 0.44
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
ALPI P09923 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALPG P10696 1/20 0.44
PABPC1 P11940 1/20 0.44
RECQL P46063 1/20 0.44
GALK1 P51570 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
MCL1 Q07820 1/20 0.44
RIN1 Q13671 1/20 0.44

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
SCHEMBL12917696 1.00 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3SYNJ2
SCHEMBL970381 1.00 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3SYNJ2
SCHEMBL8328074 0.95 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3SYNJ2
SCHEMBL8328068 0.95 LGALS8 (0.54) LGALS8SLC6A2LGALS9LGALS3SYNJ2
SCHEMBL10526425 0.92 LGALS8 (0.55) LGALS8SLC6A2LGALS9LGALS3SYNJ2
SCHEMBL9778036 0.92 LGALS8 (0.53) LGALS8SLC6A2LGALS9LGALS3SYNJ2
SCHEMBL9778035 0.92 LGALS8 (0.53) LGALS8SLC6A2LGALS9LGALS3SYNJ2
SCHEMBL5475296 0.91 TACR2 (0.47) LGALS8SLC6A2LGALS9POLBPTPN1
SCHEMBL14414823 0.91 TACR2 (0.47) LGALS8SLC6A2LGALS9POLBPTPN1
SCHEMBL969725 0.89 LGALS8 (0.50) LGALS8SLC6A2LGALS9LGALS3PTPN1

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-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
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
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

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.