SCHEMBL315510

SCHEMBL315510

Cc1noc(C)c1-c1ccncc1O[C@@H]1SC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.36
NSD3 Q9BZ95 1/20 0.35
CYP3A4 P08684 3/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL315511 1.00 BRD4 (0.39) BRD4BRD2BRD3GPBAR1NSD3
SCHEMBL2411799 0.85 BRD4 (0.38) BRD4BRD2CYP3A4ALOX15HSD17B10
SCHEMBL2411794 0.85 BRD4 (0.38) BRD4BRD2CYP3A4ALOX15HSD17B10
SCHEMBL2412237 0.83 BTK (0.36) BRD4NSD3CYP3A4CYP2C19CYP1A2
SCHEMBL2412241 0.83 BTK (0.36) BRD4NSD3CYP3A4CYP2C19CYP1A2
SCHEMBL315520 0.80 CYP1A2 (0.31) CYP1A2
SCHEMBL315521 0.80 CYP1A2 (0.31) CYP1A2
SCHEMBL315839 0.80 FFAR2 (0.35) BRD4BRD2BRD3NSD3CYP3A4
SCHEMBL315838 0.80 FFAR2 (0.35) BRD4BRD2BRD3NSD3CYP3A4
SCHEMBL1974035 0.79 CHRNB2 (0.35) TDP1

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
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US disclosed
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX BRD4 3810/4885BRD2 4694/4885BRD3 4675/4885

“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.