SCHEMBL867986

SCHEMBL867986

CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.75
ATP1A1 P05023 8/20 0.67
ATP1B1 P05026 8/20 0.67
ATP1A3 P13637 8/20 0.67
ATP1B2 P14415 8/20 0.67
ATP1A2 P50993 8/20 0.67
ATP1B3 P54709 8/20 0.67
FXYD2 P54710 8/20 0.67
ATP1A4 Q13733 8/20 0.67
HIF1A Q16665 3/20 0.66
EPAS1 Q99814 3/20 0.66
TP53 P04637 2/20 0.61
LMNA P02545 1/20 0.61
HBB P68871 1/20 0.61
RELA Q04206 1/20 0.59
PAX8 Q06710 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MAPT P10636 1/20 0.55

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
SCHEMBL14648704 1.00 SMN1; SMN2 (0.75) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12557116 1.00 SMN1; SMN2 (0.75) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
Thevetin B SCHEMBL29389027 0.92 ATP1A1 (0.80) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
Thevetin B SCHEMBL869661 0.92 ATP1A1 (0.80) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
Thevetin B SCHEMBL12556692 0.92 ATP1A1 (0.80) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
Thevetin B SCHEMBL29463277 0.92 ATP1A1 (0.80) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12556695 0.92 SMN1; SMN2 (0.75) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
Boivinide B SCHEMBL17305089 0.88 HIF1A (0.72) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL29413165 0.88 ATP1A1 (0.79) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2
Boivinide D SCHEMBL12557510 0.88 RELA (0.76) SMN1; SMN2ATP1A1ATP1B1ATP1A3ATP1B2

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10149858-B2 Treatment for migraine QUARTEY KINGSLEY YIANOMAH (CA) 2018-12-11 US claimed
US-20160143936-A1 Treatment for Migraine QUARTEY KINGSLEY YIANOMAH (CA) 2016-05-26 US claimed
US-8791079-B2 Methods for treating heart failure by inhibiting the mitochondrial sodium-calcium exchanger (mNCE) THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-29 US claimed
US-20140051652-A1 Treatment for Migraine Headache QUARTEY KINGSLEY YIANOMAH (CA) 2014-02-20 US claimed
US-20130244960-A1 Treatment for Alzheimer's Disease QUARTEY KINGSLEY YIANOMAH (CA) 2013-09-19 US claimed
US-8394434-B2 SCF extract containing cardiac glycoside PHOENIX BIOTECHNOLOGY, INC. (US) 2013-03-12 US claimed
US-20120219620-A1 SCF Extract Containing Cardiac Glycoside PHOENIX BIOTECHNOLOGY, INC. (US) 2012-08-30 US claimed
US-8187644-B2 Mixing powdered oleander leaf with supercritical carbon dioxide above critical pressure and critical temperature; depressurization and cooling to give a separated extract mixture; recovering cardiac glycoside-containing extract which acts as an antiproliferative agent; solvent extraction PHOENIX BIOTECHNOLOGY INC. (US) 2012-05-29 US claimed
US-20120077763-A1 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (mNCE) THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-29 US claimed
WO-2010104998-A2 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (MNCE) JOHNS HOPKINS UNIVERSITY (US) 2010-09-16 WO claimed
US-20080200401-A1 SCF Extract Containing Cardiac Glycoside PHOENIX BIOTECHNOLOGY, INC. (US) 2008-08-21 US claimed
US-20060205679-A1 Topical and oral formulations of cardiac glycosides for treating skin diseases AZAYA THERAPEUTICS, INC. 2006-09-14 US claimed
US-20050026849-A1 Water soluble formulations of digitalis glycosides for treating cell-proliferative and other diseases TRINITY LABORATORIES, INC. 2005-02-03 US claimed
WO-2004087121-A2 WATER SOLUBLE FORMULATIONS OF DIGITALIS GLYCOSIDES FOR TREATING CELL-PROLIFERATIVE AND OTHER DISEASES AZAYA THERAPEUTICS, INC. (US) 2004-10-14 WO claimed
US-20040082521-A1 Novel formulations of digitalis glycosides for treating cell-proliferative and other diseases Azaya Therapeutics Inc. 2004-04-29 US claimed
US-12351819-B2 Method for removing undifferentiated pluripotent stem cells ACADEMIA SINICA (TW) 2025-07-08 US disclosed
US-11083748-B2 Zeolite molecular sieves for the removal of toxins FRAMEWORK THERAPEUTICS, LLC (US) 2021-08-10 US disclosed
US-20050026849-A1 Water soluble formulations of digitalis glycosides for treating cell-proliferative and other diseases TRINITY LABORATORIES, INC. 2005-02-03 US disclosed
WO-2004087121-A2 WATER SOLUBLE FORMULATIONS OF DIGITALIS GLYCOSIDES FOR TREATING CELL-PROLIFERATIVE AND OTHER DISEASES AZAYA THERAPEUTICS, INC. (US) 2004-10-14 WO disclosed
EP-0442744-A2 Treatment of viral disease by glycosides TSUMURA & CO. (JP) 1991-08-21 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 (5 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-20060205679-A1 Topical and oral formulations of cardiac glycosides for treating skin diseases DSG1, PDIA5, NISCH SMN1; SMN2 2869/4885ATP1A1 2112/4885ATP1B1 1353/4885
US-20120077763-A1 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (mNCE) SLC8B1, ATP2A1, ATP2A2 SMN1; SMN2 1088/4885ATP1A1 109/4885ATP1B1 166/4885
US-20040082521-A1 Novel formulations of digitalis glycosides for treating cell-proliferative and other diseases DIAPH1, CDC42, CANX SMN1; SMN2 3323/4885ATP1A1 1419/4885ATP1B1 943/4885
US-12351819-B2 Method for removing undifferentiated pluripotent stem cells ALPG, UGGT1, GYPA SMN1; SMN2 3232/4885ATP1A1 212/4885ATP1B1 88/4885
US-20050026849-A1 Water soluble formulations of digitalis glycosides for treating cell-proliferative and other diseases NISCH, CANX, DSC1 SMN1; SMN2 2401/4885ATP1A1 2061/4885ATP1B1 1331/4885

“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.