SCHEMBL18056806

SCHEMBL18056806

CCC(=O)N[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1C

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.77
GAA P10253 1/20 0.77
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
OGA O60502 1/20 0.43
CA12 O43570 3/20 0.41
AKR1B1 P15121 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4173063 0.88 PYGB (0.97) PYGBGAACA1CA2CA9
SCHEMBL4184772 0.88 PYGB (0.97) PYGBGAACA1CA2CA9
SCHEMBL4173060 0.87 PYGB (1.00) PYGBGAACA1CA2CA9
SCHEMBL4182342 0.87 PYGB (1.00) PYGBGAACA1CA2CA9
SCHEMBL17948329 0.86 PYGB (0.58) PYGBGAACA1CA2CA9
SCHEMBL13308253 0.80 PYGB (0.70) PYGBGAACA1CA2CA9
SCHEMBL15975750 0.78 PYGB (0.67) PYGBGAACA1CA2CA9
SCHEMBL24468938 0.77 PYGB (0.62) PYGBGAACA1CA2CA9
SCHEMBL18365283 0.77 PYGB (0.62) PYGBGAACA1CA2CA9
SCHEMBL18193284 0.75 PYGB (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257983-A1 N-GLYCOSYLATION OF PEPTIDES AND PROTEINS ISIS INNOVATION LIMITED (GB) 2016-09-08 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-20160257983-A1 N-GLYCOSYLATION OF PEPTIDES AND PROTEINS PTMS, PGLS, PSPH PYGB 123/4885GAA 984/4885CA1 4136/4885

“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.