SCHEMBL1973086

SCHEMBL1973086

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(Cl)c2)SC[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
CYP1A2 P05177 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL1973087 1.00 CHRNB2 (0.42) CHRNB2CHRNA4GRIN1GRIN2BCYP1A2
SCHEMBL315871 0.92 CHRNB2 (0.36) CHRNB2CHRNA4GRIN1GRIN2BGRM5
SCHEMBL315872 0.92 CHRNB2 (0.36) CHRNB2CHRNA4GRIN1GRIN2BGRM5
SCHEMBL2142301 0.84 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL2142297 0.84 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL1974951 0.83 ABHD6 (0.37) GRIN1GRIN2BGRM5
SCHEMBL1974954 0.83 ABHD6 (0.37) GRIN1GRIN2BGRM5
SCHEMBL1973789 0.83 CHRNB1 (0.34) CHRNB2CHRNA4
SCHEMBL1973787 0.83 CHRNB1 (0.34) CHRNB2CHRNA4
SCHEMBL2409280 0.81 BACE1 (0.35)

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
EP-1668021-B1 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS FOURNIER LAB SA (FR) 2011-06-22 EP disclosed
US-7470671-B2 Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics LABORATOIRE FOURNIER (FR) 2008-12-30 US disclosed
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 US disclosed
EP-1668021-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2006-06-14 EP disclosed
WO-2005030785-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2005-04-07 WO 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-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS CHRNB2 4512/4885CHRNA4 4795/4885GRIN1 4518/4885

“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.