SCHEMBL14025399

SCHEMBL14025399

CC(=O)NCC1O[C@H](C)[C@@H](O)C(O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 3/20 0.54
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 5/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 3/20 0.35

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
SCHEMBL9914008 1.00 FUCA1 (0.54) FUCA1GLASMN1; SMN2CA9CA2
SCHEMBL9914035 1.00 FUCA1 (0.54) FUCA1GLASMN1; SMN2CA9CA2
SCHEMBL12899990 0.98 FUCA1 (0.51) FUCA1GLASMN1; SMN2CA9CA2
SCHEMBL15978525 0.84 FUCA1 (0.40) FUCA1GLACA9CA2CA1
SCHEMBL13951673 0.83 GLA (0.41) FUCA1GLA
SCHEMBL30483914 0.81 PYGB (0.47) GLA
SCHEMBL9235423 0.81 PYGB (0.47) GLA
SCHEMBL9915177 0.80 FUCA1 (0.41) FUCA1GLACA9CA2CA1
SCHEMBL17124769 0.80 FUCA1 (0.39) FUCA1CA9CA2CA12CA1
SCHEMBL20786630 0.79 GLA (0.49) GLA

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-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-10-30 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-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 FUCA1 305/4885GLA 265/4885SMN1; SMN2 3696/4885

“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.