SCHEMBL1974499

SCHEMBL1974499

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(C)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30
GCK P35557 2/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1974498 1.00 ATM (0.31) ATMHCAR2SMYD3GCKCHRNB1
SCHEMBL3400268 0.93 PIK3CG (0.32)
SCHEMBL315640 0.93 PIK3CG (0.32)
SCHEMBL2137701 0.87 CYP1A2 (0.32)
SCHEMBL1974786 0.87 ABHD6 (0.36) HCAR2
SCHEMBL316241 0.87 NPC1 (0.33) CHRNB2CHRNA4
SCHEMBL1974790 0.87 ABHD6 (0.36) HCAR2
SCHEMBL316242 0.87 NPC1 (0.33) CHRNB2CHRNA4
SCHEMBL2139028 0.87 KDM4E (0.32) CHRNB2CHRNA4KDM4E
SCHEMBL1972648 0.87 CHRNB2 (0.36) CHRNB2CHRNA4

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 ATM 4112/4885HCAR2 1987/4885SMYD3 2481/4885

“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.