SCHEMBL16373481

SCHEMBL16373481

CC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(C)=O)[C@H]1NC(C)=S

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 6/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ CD69 Q07108 2/20 0.39
▸ PYGB P11216 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ LGALS3 P17931 1/20 0.36
▸ LGALS4 P56470 1/20 0.36

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
SCHEMBL7154639 0.89 ALDH1A1 (0.52) LGALS8ALDH1A1THRBMAPK1LMNA
SCHEMBL8027243 0.89 ALDH1A1 (0.52) LGALS8ALDH1A1THRBMAPK1LMNA
SCHEMBL29556423 0.89 ALDH1A1 (0.52) LGALS8ALDH1A1THRBMAPK1LMNA
SCHEMBL7154645 0.89 ALDH1A1 (0.52) LGALS8ALDH1A1THRBMAPK1LMNA
SCHEMBL16152123 0.81 LGALS8 (0.51) LGALS8ALDH1A1THRBMAPK1PTPN1
SCHEMBL16342089 0.81 LGALS8 (0.51) LGALS8ALDH1A1THRBMAPK1PTPN1
SCHEMBL13496092 0.81 LGALS8 (0.51) LGALS8ALDH1A1THRBMAPK1PTPN1
SCHEMBL15250843 0.81 LGALS8 (0.51) LGALS8ALDH1A1THRBMAPK1PTPN1
SCHEMBL16340826 0.81 LGALS8 (0.51) LGALS8ALDH1A1THRBMAPK1PTPN1
SCHEMBL7535550 0.79 LGALS8 (0.50) LGALS8ALDH1A1THRBMAPK1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927507-B2 Selective glycosidase inhibitors and uses thereof MERCK SHARP & DOHME CORP. 2015-01-06 — — US disclosed
US-20140107044-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-04-17 — — 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-20140107044-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF ENGASE, OGA, GALE LGALS8 342/4885ALDH1A1 1167/4885THRB 1956/4885

“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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