SCHEMBL16869952

SCHEMBL16869952

C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C(=O)O)O[C@H]2C)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.47
▸ IGF2R P11717 2/20 0.46
▸ SELE P16581 1/20 0.46
▸ STAT3 P40763 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ XDH P47989 1/20 0.41
▸ MGAM O43451 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ CD209 Q9NNX6 1/20 0.40

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
SCHEMBL16587627 1.00 AMY1A (0.47) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL14616228 0.96 AMY1A (0.44) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL19480148 0.93 IGF2R (0.46) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL19480247 0.93 IGF2R (0.46) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL26032277 0.90 AMY1A (0.54) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL27279098 0.89 AMY1A (0.51) AMY1AIGF2RSELESTAT3
SCHEMBL19480243 0.88 IGF2R (0.42) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL22026382 0.88 IGF2R (0.48) AMY1AIGF2RSELESTAT3PTPN1
SCHEMBL16866291 0.85 AMY1A (0.41) AMY1AIGF2RSELESTAT3ALDH1A1
SCHEMBL24250552 0.84 SELE (0.45) AMY1AIGF2RSELESTAT3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9629865-B2 Modified saponins for the treatment of fungal infections THE BROAD INSTITUTE, INC. (US) 2017-04-25 — — US disclosed
US-20160228465-A1 Modified Saponins For the Treatment of Fungal Infections NIH - DEITR 2016-08-11 — — US disclosed
US-9320751-B2 Modified saponins for the treatment of fungal infections THE GENERAL HOSPITAL CORPORATION (US) 2016-04-26 — — US disclosed
US-20150182544-A1 Modified Saponins for the Treatment of Fungal Infections MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-07-02 — — 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 (2 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-20150182544-A1 Modified Saponins for the Treatment of Fungal Infections ERG28, TREH, MANBA AMY1A 227/4885IGF2R 2541/4885SELE 2604/4885
US-20160228465-A1 Modified Saponins For the Treatment of Fungal Infections ERG28, TREH, MANBA AMY1A 227/4885IGF2R 2541/4885SELE 2604/4885

“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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