SCHEMBL4864102

SCHEMBL4864102

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(F)nc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
CHRM4 P08173 1/20 0.33
P2RY14 Q15391 1/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31

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
SCHEMBL4864112 1.00 GRIN1 (0.34) GRIN1GRIN2BCHRM4P2RY14CHRNB2
SCHEMBL315460 0.93 CHRNA7 (0.32) GRIN1GRIN2BCHRM4
SCHEMBL3401000 0.93 CHRNA7 (0.32) GRIN1GRIN2BCHRM4
SCHEMBL1972812 0.87 FFAR4 (0.36) GRIN1GRIN2BCHRM4P2RY14
SCHEMBL1972811 0.87 FFAR4 (0.36) GRIN1GRIN2BCHRM4P2RY14
SCHEMBL2141918 0.86 HRH3 (0.35)
SCHEMBL314907 0.86 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL314906 0.86 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL4859819 0.86 CHRM4 (0.33) CHRM4CHRNB2CHRNA4
SCHEMBL2141911 0.86 HRH3 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIN1 4518/4885GRIN2B 4651/4885CHRM4 4150/4885

“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.