SCHEMBL1972811

SCHEMBL1972811

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
KMT2A Q03164 2/20 0.34
CHRM4 P08173 4/20 0.33
P2RY14 Q15391 4/20 0.33
MAPT P10636 1/20 0.33
CHRNA7 P36544 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
HAO1 Q9UJM8 1/20 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
SCHEMBL1972812 1.00 FFAR4 (0.36) FFAR4GRIN1GRIN2BKMT2ACHRM4
SCHEMBL3399328 0.93 CHRNA7 (0.35) FFAR4GRIN1GRIN2BKMT2ACHRM4
SCHEMBL314941 0.93 CHRNA7 (0.35) FFAR4GRIN1GRIN2BKMT2ACHRM4
SCHEMBL2141918 0.87 HRH3 (0.35)
SCHEMBL4859819 0.87 CHRM4 (0.33) CHRM4CHRNA7
SCHEMBL2141911 0.87 HRH3 (0.35)
SCHEMBL314907 0.87 CHRNB2 (0.32)
SCHEMBL4864102 0.87 GRIN1 (0.34) GRIN1GRIN2BCHRM4P2RY14
SCHEMBL314906 0.87 CHRNB2 (0.32)
SCHEMBL4864112 0.87 GRIN1 (0.34) GRIN1GRIN2BCHRM4P2RY14

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 FFAR4 1898/4885GRIN1 4518/4885GRIN2B 4651/4885

“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.