SCHEMBL1972649

SCHEMBL1972649

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL1972648 1.00 CHRNB2 (0.36) CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL3400456 0.93 MKNK1 (0.33) CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL315665 0.93 MKNK1 (0.33) CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL1974498 0.87 ATM (0.31) CHRNB2CHRNA4
SCHEMBL1974499 0.87 ATM (0.31) CHRNB2CHRNA4
SCHEMBL1974790 0.86 ABHD6 (0.36) GRIN1GRIN2B
SCHEMBL316241 0.86 NPC1 (0.33) CHRNB2CHRNA4
SCHEMBL2137701 0.86 CYP1A2 (0.32)
SCHEMBL1974786 0.86 ABHD6 (0.36) GRIN1GRIN2B
SCHEMBL2137712 0.86 CYP1A2 (0.32)

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 3 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

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.