SCHEMBL17080339

SCHEMBL17080339

C[C@H](C(=O)O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.44
GAA P10253 1/20 0.44
LGALS1 P09382 2/20 0.41
LGALS3 P17931 2/20 0.41
LGALS9 O00182 1/20 0.41
LGALS8 O00214 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL17080323 1.00 PYGB (0.44) PYGBGAALGALS1LGALS3LGALS9
SCHEMBL20161660 1.00 PYGB (0.44) PYGBGAALGALS1LGALS3LGALS9
SCHEMBL20161682 1.00 PYGB (0.44) PYGBGAALGALS1LGALS3LGALS9
SCHEMBL28909060 1.00 PYGB (0.44) PYGBGAALGALS1LGALS3LGALS9
SCHEMBL20265963 1.00 PYGB (0.44) PYGBGAALGALS1LGALS3LGALS9
SCHEMBL20161685 1.00 PYGB (0.44) PYGBGAALGALS1LGALS3LGALS9
SCHEMBL20265967 1.00 PYGB (0.44) PYGBGAALGALS1LGALS3LGALS9
SCHEMBL17080340 1.00 PYGB (0.44) PYGBGAALGALS1LGALS3LGALS9
SCHEMBL21342377 0.84 LGALS3 (0.49) LGALS1LGALS3LGALS9LGALS8
SCHEMBL20161936 0.84 LGALS3 (0.49) LGALS1LGALS3LGALS9LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357301-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF FACULDADE DE CIENCIAS DA UNIVERSIDADE DE LISBOA (PT) 2023-11-09 US disclosed
US-11708387-B2 Hexose derivatives, preparation and uses thereof FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA (PT) 2023-07-25 US disclosed
US-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF UNIVERSIDADE NOVA DE LISBOA (PT) 2018-06-21 US disclosed
EP-3116886-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF Faculdade De Ciências da Universidade de Lisboa (PT) 2017-01-18 EP disclosed
WO-2015137838-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF EXTREMOCHEM, LDA. (PT) 2015-09-17 WO 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-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 PYGB 1510/4885GAA 1568/4885LGALS1 792/4885
US-20230357301-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 PYGB 1510/4885GAA 1568/4885LGALS1 792/4885
US-11708387-B2 Hexose derivatives, preparation and uses thereof HK1, SLC5A1, HK2 PYGB 1510/4885GAA 1568/4885LGALS1 792/4885

“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.