SCHEMBL1974689

SCHEMBL1974689

O[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)SC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRND Q07001 1/20 0.35
CYP1A2 P05177 1/20 0.34
GRM5 P41594 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1974106 1.00 CHRNB2 (0.41) CHRNB2CHRNA4LMNATDP1ADORA3
Hydrochloric Acid SCHEMBL4862314 0.99 CHRNB2 (0.40) CHRNB2CHRNA4LMNATDP1ADORA3
SCHEMBL315252 0.86 CHRNB1 (0.40) CHRNB2CHRNA3CHRNB1CHRNB4CYP1A2
SCHEMBL315253 0.86 CHRNB1 (0.40) CHRNB2CHRNA3CHRNB1CHRNB4CYP1A2
SCHEMBL2414587 0.86 MKNK1 (0.38) CHRNB2CHRNA3CHRNB1CHRNB4CYP1A2
SCHEMBL2414591 0.86 MKNK1 (0.38) CHRNB2CHRNA3CHRNB1CHRNB4CYP1A2
SCHEMBL2411432 0.85 CYP19A1 (0.41) CYP1A2
SCHEMBL2411436 0.85 CYP19A1 (0.41) CYP1A2
SCHEMBL314442 0.84 CYP11B1 (0.43) ADORA3GRM5KDM4E
SCHEMBL314443 0.84 CYP11B1 (0.43) ADORA3GRM5KDM4E

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 CHRNB2 4512/4885CHRNA4 4795/4885LMNA 3451/4885

“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.