SCHEMBL13698582

SCHEMBL13698582

CCO[C@H]1[C@@H](CN=[N+]=[N-])OC(OC)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
LGALS8 O00214 2/20 0.35
CD209 Q9NNX6 1/20 0.34
G6PD P11413 3/20 0.33
GAA P10253 1/20 0.32
PTPN1 P18031 1/20 0.30

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
SCHEMBL22899135 0.87 TNF (0.37) GBA1LGALS8CD209GAA
SCHEMBL19656077 0.84 GBA1 (0.38) GBA1LGALS8CD209G6PDGAA
SCHEMBL14772011 0.82 GBA1 (0.35) GBA1CD209
SCHEMBL13944218 0.80 GAA (0.46) GBA1CD209G6PDGAA
SCHEMBL21738582 0.80 GAA (0.46) GBA1CD209G6PDGAA
SCHEMBL23689997 0.80 GAA (0.46) GBA1CD209G6PDGAA
SCHEMBL13908121 0.80 GAA (0.46) GBA1CD209G6PDGAA
SCHEMBL17342338 0.80 GAA (0.46) GBA1CD209G6PDGAA
SCHEMBL15314716 0.80 GAA (0.46) GBA1CD209G6PDGAA
SCHEMBL19720228 0.80 GAA (0.46) GBA1CD209G6PDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
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
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 (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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 GBA1 1553/4885LGALS8 593/4885CD209 233/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 GBA1 1264/4885LGALS8 769/4885CD209 274/4885

“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.