SCHEMBL20265935

SCHEMBL20265935

NCC(O)CCC(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ PYGB P11216 7/20 0.43
▸ GAA P10253 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
SCHEMBL29439292 1.00 CA12 (0.43) CA12CA1CA2CA9PYGB
SCHEMBL26135776 1.00 CA12 (0.43) CA12CA1CA2CA9PYGB
SCHEMBL4292200 1.00 CA12 (0.43) CA12CA1CA2CA9PYGB
SCHEMBL31150424 1.00 CA12 (0.43) CA12CA1CA2CA9PYGB
SCHEMBL28448246 0.83 CA12 (0.44) CA12CA1CA2CA9PYGB
SCHEMBL28444663 0.83 CA12 (0.44) CA12CA1CA2CA9PYGB
SCHEMBL734876 0.83 CA12 (0.44) CA12CA1CA2CA9PYGB
SCHEMBL28448523 0.83 CA12 (0.44) CA12CA1CA2CA9PYGB
SCHEMBL9346601 0.81 CA12 (0.42) CA12CA1CA2CA9PYGB
SCHEMBL28732847 0.81 PYGB (0.48) CA12CA1CA2CA9PYGB

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-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
CN-115448964-A Hexose derivatives and their formulations and use 里斯本大学科学与技术学院 2022-12-09 — — CN disclosed
US-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF UNIVERSIDADE NOVA DE LISBOA (PT) 2018-06-21 — — 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-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 CA12 598/4885CA1 745/4885CA2 901/4885
US-20230357301-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 CA12 598/4885CA1 745/4885CA2 901/4885
US-11708387-B2 Hexose derivatives, preparation and uses thereof HK1, SLC5A1, HK2 CA12 598/4885CA1 745/4885CA2 901/4885

“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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