SCHEMBL1972084

SCHEMBL1972084

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])SC[C@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 6/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
S1PR4 O95977 2/20 0.37

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
SCHEMBL1972082 1.00 MAPT (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1973651 0.85 MEN1 (0.38) MEN1KMT2AKDM4E
SCHEMBL1973648 0.85 MEN1 (0.38) MEN1KMT2AKDM4E
SCHEMBL1972186 0.84 GRIN1 (0.35) MEN1KMT2A
SCHEMBL1972189 0.84 GRIN1 (0.35) MEN1KMT2A
SCHEMBL1973904 0.83 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1973903 0.83 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL314592 0.83 S1PR4 (0.30) S1PR4
SCHEMBL314593 0.83 S1PR4 (0.30) S1PR4
SCHEMBL1974395 0.82 KDM4E (0.40) ALDH1A1MEN1KMT2AKDM4ES1PR4

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 MAPT 4311/4885ALDH1A1 878/4885MEN1 3378/4885

“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.