SCHEMBL21884068

SCHEMBL21884068

CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 3/20 0.48
▸ AMY2A P04746 9/20 0.41
▸ GAA P10253 4/20 0.38
▸ MGAM O43451 2/20 0.38
▸ SI P14410 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ STAT3 P40763 1/20 0.35

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
SCHEMBL21883716 1.00 AMY1A (0.48) AMY1AAMY2AGAAMGAMSI
SCHEMBL8915660 1.00 AMY1A (0.48) AMY1AAMY2AGAAMGAMSI
SCHEMBL18323930 0.90 AMY1A (0.48) AMY1AAMY2AGAAPTGS1ALDH1A1
SCHEMBL16904113 0.90 AMY1A (0.48) AMY1AAMY2AGAAPTGS1ALDH1A1
SCHEMBL17773084 0.90 AMY1A (0.48) AMY1AAMY2AGAAPTGS1ALDH1A1
SCHEMBL17773086 0.90 AMY1A (0.48) AMY1AAMY2AGAAPTGS1ALDH1A1
SCHEMBL17773089 0.90 AMY1A (0.48) AMY1AAMY2AGAAPTGS1ALDH1A1
SCHEMBL17773088 0.90 AMY1A (0.48) AMY1AAMY2AGAAPTGS1ALDH1A1
SCHEMBL11147760 0.89 AMY1A (0.47) AMY1AAMY2AGAAMGAMSI
SCHEMBL11147765 0.89 AMY1A (0.47) AMY1AAMY2AGAAMGAMSI

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-10610539-B2 Cardiac glycoside analogs and their use in methods for inhibition of viral infection THE JOHN HOPKINS UNIVERSITY (US) 2020-04-07 — — 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-10610539-B2 Cardiac glycoside analogs and their use in methods for inhibition of viral infection ATP1A3, ATP1A2, ATP1B3 AMY1A 1903/4885AMY2A 2699/4885GAA 26/4885

“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.

Send feedback