Ouabain

Ouabain

SCHEMBL2524203

C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CCC5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 1.00
▸ TP53 P04637 7/20 1.00
▸ LMNA P02545 5/20 1.00
▸ HIF1A Q16665 5/20 1.00
▸ NPC1 O15118 4/20 1.00
▸ RAB9A P51151 4/20 1.00
▸ GMNN O75496 2/20 1.00
▸ KLF5 Q13887 2/20 1.00
▸ TSHR P16473 2/20 1.00
▸ NFKB1 P19838 2/20 1.00
▸ ATP1A1 P05023 2/20 1.00
▸ ATP1B1 P05026 2/20 1.00
▸ ATP1A3 P13637 2/20 1.00
▸ ATP1B2 P14415 2/20 1.00
▸ ATP1A2 P50993 2/20 1.00
▸ ATP1B3 P54709 2/20 1.00
▸ FXYD2 P54710 2/20 1.00
▸ ATP1A4 Q13733 2/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ CYP1A2 P05177 1/20 1.00

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
Ouabain SCHEMBL12841141 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL14648711 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL14648716 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL24444049 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL15433 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL24951415 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL21960066 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL21960068 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL22824877 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL18922524 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121486-A1 COMPOSITIONS AND COMPOUNDS FOR TREATING COVID-19 INTERNATIONAL PATENT HOLDINGS LLC (KN) 2023-06-29 — — WO claimed
US-8697660-B2 Compounds and compositions for treating infection INTERNATIONAL PATENT HOLDINGS LLC 2014-04-15 — — US claimed
US-20130023487-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION INTERNATIONAL PATENT HOLDINGS LLC (KN) 2013-01-24 — — US claimed
US-11337988-B2 Use of ouabain antagonists to inhibit viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-05-24 — — US disclosed
US-10137140-B2 Therapeutic composition Dermarc LLC (US) 2018-11-27 — — US disclosed
US-10130648-B2 Therapeutic composition Dermarc LLC (US) 2018-11-20 — — US disclosed
US-20180133239-A1 THERAPEUTIC COMPOSITION MARUHO CO., LTD. (JP) 2018-05-17 — — US disclosed
US-9782426-B2 Anti-viral therapeutic composition CUTANEA LIFE SCIENCES, INC. (US) 2017-10-10 — — US disclosed
US-20170000813-A1 THERAPEUTIC COMPOSITION MARUHO CO., LTD. (JP) 2017-01-05 — — US disclosed
US-20170000814-A1 THERAPEUTIC COMPOSITION MARUHO CO., LTD. (JP) 2017-01-05 — — US disclosed
US-20160354396-A1 THERAPEUTIC COMPOSITION MARUHO CO., LTD. (JP) 2016-12-08 — — US disclosed
US-20160206641-A1 RAPIDLY-DISSOLVING THIN FILM FORMULATION OF WATER SOLUBLE DIGITALIS GLYCOSIDE FOR THE TREATMENT OF CONGESTIVE HEART DISEASE LUMINUS BIOSCIENCES INC (US) 2016-07-21 — — US disclosed
US-20110250297-A1 Treatment of Hyperproliferative Disorders Using Cardiac Glycosides EPICENTRX, INC. 2011-10-13 — — 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 (8 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-10130648-B2 Therapeutic composition CCL11, TSLP, CCL5 SMN1; SMN2 1719/4885TP53 893/4885LMNA 2177/4885
US-20170000814-A1 THERAPEUTIC COMPOSITION CCL11, TSLP, CCL5 SMN1; SMN2 1719/4885TP53 893/4885LMNA 2177/4885
US-11337988-B2 Use of ouabain antagonists to inhibit viral infection ATP1A1, ATP1A2, ATP1B1 SMN1; SMN2 852/4885TP53 3236/4885LMNA 2216/4885
US-20130023487-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION RPN2, LSS, CLIC4 SMN1; SMN2 4731/4885TP53 4642/4885LMNA 4592/4885
US-20170000813-A1 THERAPEUTIC COMPOSITION CCL11, TSLP, CCL5 SMN1; SMN2 1719/4885TP53 893/4885LMNA 2177/4885
US-10137140-B2 Therapeutic composition CCL11, TSLP, CCL5 SMN1; SMN2 1719/4885TP53 893/4885LMNA 2177/4885
US-20180133239-A1 THERAPEUTIC COMPOSITION CCL11, TSLP, CCL5 SMN1; SMN2 1719/4885TP53 893/4885LMNA 2177/4885
US-20160354396-A1 THERAPEUTIC COMPOSITION CCL11, TSLP, CCL5 SMN1; SMN2 1719/4885TP53 893/4885LMNA 2177/4885

“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.

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