SCHEMBL85752

SCHEMBL85752

CCO[C@H]1[C@H](O)CN(C)[C@@H]1COC

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MGAM O43451 1/20 0.42
GBA1 P04062 2/20 0.32

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
SCHEMBL12149606 0.74 GAA (0.68) GAAMGAMGBA1
SCHEMBL23490407 0.70 GAA (0.43) GAAMGAMGBA1
SCHEMBL24996753 0.67 GAA (0.31) GAAMGAM
SCHEMBL24996828 0.67 GAA (0.31) GAAMGAM
SCHEMBL14626850 0.67 GAA (0.31) GAAMGAM
SCHEMBL85755 0.66 GAA (0.41) GAAMGAMGBA1
SCHEMBL12149590 0.66 GAA (0.66) GAAMGAMGBA1
SCHEMBL23205827 0.64 GBA1 (0.47) GAAMGAMGBA1
SCHEMBL15841232 0.64 GBA1 (0.47) GAAMGAMGBA1
SCHEMBL15318635 0.64 GBA1 (0.47) GAAMGAMGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 GAA 1989/4885MGAM 2954/4885GBA1 1264/4885

“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.