SCHEMBL13308253

SCHEMBL13308253

CCC(=O)N[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1NC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.70
GAA P10253 1/20 0.70
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
MAPK1 P28482 2/20 0.51
CD69 Q07108 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9302990 0.89 CA1 (0.60) PYGBGAACA1CA2CA9
SCHEMBL9302995 0.89 CA1 (0.60) PYGBGAACA1CA2CA9
SCHEMBL18934182 0.87 PYGB (0.68) PYGBGAACA1CA2CA9
SCHEMBL16664307 0.87 CA1 (0.53) PYGBGAACA1CA2CA9
SCHEMBL16190468 0.87 PYGB (0.68) PYGBGAACA1CA2CA9
SCHEMBL14750544 0.87 PYGB (0.68) PYGBGAACA1CA2CA9
SCHEMBL15975750 0.86 PYGB (0.67) PYGBGAACA1CA2CA9
SCHEMBL4173063 0.84 PYGB (0.97) PYGBGAACA1CA2CA9
SCHEMBL4184772 0.84 PYGB (0.97) PYGBGAACA1CA2CA9
SCHEMBL16217898 0.84 ALDH1A1 (0.54) PYGBGAACA1CA2CA9

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-20240218342-A1 SITE-SPECIFIC GLYCAN REMODELING OF LYSOSOMAL ENZYMES AND APPLICATIONS THEREOF UNIVERSITY OF MARYLAND, COLLEGE PARK 2024-07-04 US disclosed
US-7728106-B2 HIV-1 glycopeptides and derivatives; preparation and applications thereof UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-06-01 US disclosed
US-20070224211-A1 HIV-1 glycopeptides and derivatives; preparation and applications thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-27 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-20240218342-A1 SITE-SPECIFIC GLYCAN REMODELING OF LYSOSOMAL ENZYMES AND APPLICATIONS THEREOF GAA, MAN2B1, M6PR PYGB 281/4885GAA 1/4885CA1 2735/4885
US-20070224211-A1 HIV-1 glycopeptides and derivatives; preparation and applications thereof ENGASE, GALE, CD4 PYGB 935/4885GAA 132/4885CA1 3228/4885

“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.