SCHEMBL16587626

SCHEMBL16587626

CC1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ AMY1A P0DUB6 1/20 0.51
▸ LGALS8 O00214 1/20 0.48
▸ LGALS3 P17931 1/20 0.48
▸ LGALS4 P56470 1/20 0.48
▸ GJA1 P17302 1/20 0.47
▸ GJB2 P29033 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SELE P16581 1/20 0.46
▸ CD209 Q9NNX6 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ AMY2A P04746 1/20 0.44
▸ IGF2R P11717 1/20 0.43

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
SCHEMBL23126082 1.00 MEN1 (0.52) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL13078069 1.00 MEN1 (0.52) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL12127166 1.00 MEN1 (0.52) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL23844351 1.00 MEN1 (0.52) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL12129496 1.00 MEN1 (0.52) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL23844387 1.00 MEN1 (0.52) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL19682223 1.00 MEN1 (0.52) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL15130864 0.98 MEN1 (0.51) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL15132503 0.98 MEN1 (0.51) MEN1KMT2AAMY1ALGALS8LGALS3
SCHEMBL19682224 0.98 MEN1 (0.51) MEN1KMT2AAMY1ALGALS8LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018013767-A1 REBAUDIOSIDE ANALOGS PEPSICO, INC. (US) 2018-01-18 — — WO disclosed
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
US-20150157721-A1 POLYMER-CARBOHYDRATE CONJUGATES FOR DRUG DELIVERY TECHNOLOGY LIPOSEUTICALS INC 2015-06-11 — — US disclosed
US-8987217-B2 Modified saponins for the treatment of fungal infections THE GENERAL HOSPITAL CORPORATION (US) 2015-03-24 — — 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 (3 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 MEN1 1850/4885KMT2A 2336/4885AMY1A 227/4885
US-20160228465-A1 Modified Saponins For the Treatment of Fungal Infections ERG28, TREH, MANBA MEN1 1850/4885KMT2A 2336/4885AMY1A 227/4885
US-20150157721-A1 POLYMER-CARBOHYDRATE CONJUGATES FOR DRUG DELIVERY TECHNOLOGY LIPC, FABP4, CETP MEN1 2733/4885KMT2A 1977/4885AMY1A 1333/4885

“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