SCHEMBL21137926

SCHEMBL21137926

CCCC(=O)N[C@H]1C(O)O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](OC(=O)CC)[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 1/20 0.33
▸ TLR4 O00206 7/20 0.33
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ LY96 Q9Y6Y9 6/20 0.31
▸ SLC5A1 P13866 1/20 0.31
▸ SLC5A2 P31639 1/20 0.31

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
SCHEMBL21137861 0.96 MAPT (0.34) PYGBTLR4MAPTMAPK1LY96
SCHEMBL21137980 0.87 PYGB (0.40) PYGBTLR4MAPK1SLC5A1SLC5A2
SCHEMBL28855878 0.87 PYGB (0.40) PYGBTLR4MAPK1SLC5A1SLC5A2
SCHEMBL21138115 0.87 MAPT (0.39) PYGBTLR4MAPTMAPK1LY96
Hydrochloric Acid SCHEMBL29777443 0.86 PYGB (0.39) PYGBTLR4MAPK1SLC5A1SLC5A2
Hydrochloric Acid SCHEMBL21058387 0.86 PYGB (0.39) PYGBTLR4MAPK1SLC5A1SLC5A2
SCHEMBL21137982 0.83 PYGB (0.37) PYGBTLR4MAPTMAPK1LY96
SCHEMBL21137922 0.82 MAPT (0.44) PYGBTLR4MAPTLY96
SCHEMBL25835107 0.82 MAPT (0.44) PYGBTLR4MAPTLY96
SCHEMBL21137923 0.80 TLR4 (0.48) TLR4MAPTLY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227488-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-07-20 — — US disclosed
US-20230227488-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-07-20 — — US disclosed
US-20190185502-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH CO, LTD. (CN) 2019-06-20 — — 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-20230227488-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF OGT, UGGT1, GLA PYGB 601/4885TLR4 896/4885MAPT 2761/4885
US-20190185502-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF OGT, UGGT1, GLA PYGB 601/4885TLR4 896/4885MAPT 2761/4885

“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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