Ouabain

Ouabain

SCHEMBL24444049

C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@@H](CC[C@]3(O)C2)[C@@]2(O)CCC(C3=CC(=O)OC3)[C@@]2(C)C[C@@H]4O)[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 SCHEMBL14633742 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL17936503 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL2318232 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL10044992 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL18922524 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 SCHEMBL14648716 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-11337988-B2 Use of ouabain antagonists to inhibit viral infection ATP1A1, ATP1A2, ATP1B1 SMN1; SMN2 852/4885TP53 3236/4885LMNA 2216/4885

“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.