SCHEMBL4169929

SCHEMBL4169929

CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(=O)CCC(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ LGALS3 P17931 3/20 0.47
▸ LGALS8 O00214 2/20 0.46
▸ LGALS1 P09382 1/20 0.46
▸ LGALS7; LGALS7B P47929 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL4169921 1.00 CA2 (0.52) CA2CA9CA1LGALS3LGALS8
SCHEMBL9231724 0.83 CA2 (0.51) CA2CA9CA1LGALS3LGALS8
SCHEMBL9231731 0.83 CA2 (0.51) CA2CA9CA1LGALS3LGALS8
SCHEMBL14134617 0.83 CA2 (0.51) CA2CA9CA1LGALS8
SCHEMBL12081984 0.83 CA2 (0.51) CA2CA9CA1LGALS8
SCHEMBL12085042 0.83 CA2 (0.51) CA2CA9CA1LGALS8
SCHEMBL12085043 0.81 LGALS8 (0.51) CA2CA9CA1LGALS8
SCHEMBL4114206 0.81 LGALS8 (0.51) CA2CA9CA1LGALS8
SCHEMBL12082304 0.81 LGALS8 (0.51) CA2CA9CA1LGALS8
SCHEMBL14134610 0.81 CA2 (0.51) CA2CA9CA1LGALS8POLB

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-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-06-25 — — 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-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides LNPEP, CLSPN, GALNT14 CA2 2265/4885CA9 1568/4885CA1 923/4885

“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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