SCHEMBL1974398

SCHEMBL1974398

CCc1nc(C)ccc1O[C@H]1SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
S1PR4 O95977 1/20 0.32
CRHR1 P34998 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
SCHEMBL1974395 1.00 KDM4E (0.40) KDM4EALDH1A1MEN1TP53KMT2A
SCHEMBL1973651 0.87 MEN1 (0.38) KDM4EMEN1KMT2A
SCHEMBL1973648 0.87 MEN1 (0.38) KDM4EMEN1KMT2A
SCHEMBL1972189 0.86 GRIN1 (0.35) MEN1KMT2A
SCHEMBL1972186 0.86 GRIN1 (0.35) MEN1KMT2A
SCHEMBL314593 0.85 S1PR4 (0.30) S1PR4
SCHEMBL314592 0.85 S1PR4 (0.30) S1PR4
SCHEMBL1972082 0.82 MAPT (0.40) KDM4EALDH1A1MEN1KMT2AS1PR4
SCHEMBL1972084 0.82 MAPT (0.40) KDM4EALDH1A1MEN1KMT2AS1PR4
SCHEMBL3401195 0.81

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 KDM4E 1350/4885ALDH1A1 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.