SCHEMBL1973904

SCHEMBL1973904

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccnc2[N+](=O)[O-])SC[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.35

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
SCHEMBL1973903 1.00 ALDH1A1 (0.39) ALDH1A1MAPTKMT2APOLBHTT
SCHEMBL1973110 0.84 GRIN1 (0.36)
SCHEMBL1978405 0.84 GRIN1 (0.34) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL1978407 0.84 GRIN1 (0.34) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL1973109 0.84 GRIN1 (0.36)
SCHEMBL1972082 0.83 MAPT (0.40) ALDH1A1MAPTKMT2APOLBHTT
SCHEMBL1972084 0.83 MAPT (0.40) ALDH1A1MAPTKMT2APOLBHTT
SCHEMBL3194634 0.83 KDM4E (0.32) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL314915 0.83 KDM4E (0.32) ALDH1A1MAPTKDM4ELMNA
SCHEMBL314916 0.83 KDM4E (0.32) ALDH1A1MAPTKDM4ELMNA

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 8 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-7652032-B2 5-Thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2010-01-26 US disclosed
EP-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP disclosed
US-20090118325-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A. (FR) 2009-05-07 US disclosed
EP-2041153-A1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES Laboratoires Fournier S.A. (FR) 2009-04-01 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
WO-2008007027-A1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES LABORATOIRES FOURNIER S.A. (FR) 2008-01-17 WO 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 (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-20090118325-A1 5-Thioxylopyranose Compounds STS, F2, CBR1 ALDH1A1 2550/4885MAPT 4765/4885KMT2A 4035/4885
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS ALDH1A1 878/4885MAPT 4311/4885KMT2A 4016/4885

“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.