SCHEMBL970376

SCHEMBL970376

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
TSHR P16473 1/20 0.59
CYP2D6 P10635 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 1/20 0.56
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA2 P00918 3/20 0.50
PAX8 Q06710 1/20 0.47
PRKCA P17252 1/20 0.47
AKT1 P31749 1/20 0.47
PTK2 Q05397 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA5B Q9Y2D0 2/20 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
SCHEMBL17509207 1.00 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL17509206 1.00 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL17502024 1.00 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL17502040 1.00 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL971366 1.00 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL24086068 1.00 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL8221876 1.00 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL7572133 1.00 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL17501989 0.95 LMNA (0.60) LMNATSHRCYP2D6ALDH1A1MAPK1
SCHEMBL19976407 0.95 LMNA (0.63) LMNATSHRCYP2D6ALDH1A1MAPK1

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-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
EP-0830365-B1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RES COUNCIL (CA) 2002-09-04 EP disclosed
EP-0837867-B1 MODIFIED ALPHA-D-Glcp-(1-2)-ALPHA-D-Glcp-(1-3)-ALPHA-D-Glcp-ANALOGUES ALBERTA RES COUNCIL (CA) 2001-08-16 EP disclosed
US-5929037-A GLUCOSIDASE I INHIBITORS ALBERTA RESEARCH COUNCIL (CA) 1999-07-27 US disclosed
US-5877157-A Modified kojibioside analogues ALBERTA RESEARCH COUNCIL (CA) 1999-03-02 US disclosed
EP-0837867-A1 MODIFIED $g(a)-D-Glcp-(1-2)-$g(a)-D-Glcp-(1-3)-$g(a)-D-Glcp-ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1998-04-29 EP disclosed
EP-0830365-A1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1998-03-25 EP disclosed
US-5633233-A Modified kojibiosides analogues ALBERTA RESEARCH COUNCIL (CA) 1997-05-27 US disclosed
WO-1996040702-A1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1996-12-19 WO disclosed
WO-1996040700-A1 MODIFIED α-D-Glcp-(1-2)-α-D-Glcp-(1-3)-α-D-Glcp-ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1996-12-19 WO disclosed
US-5075433-A Substituted-3-sulfatoglucuronic acid antigens EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed
EP-0416396-A2 Tetrasaccharides and process for their preparation MERCK PATENT GmbH (DE) 1991-03-13 EP 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 LMNA 3850/4885TSHR 3744/4885CYP2D6 1380/4885

“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.