SCHEMBL315838

SCHEMBL315838

Cc1noc(C)c1-c1ncccc1O[C@@H]1SC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 4/20 0.35
BRD4 O60885 11/20 0.34
BRD2 P25440 5/20 0.33
BRD3 Q15059 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP2C19 P33261 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
NSD3 Q9BZ95 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TGFBR1 P36897 1/20 0.31
CREBBP Q92793 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
SCHEMBL315839 1.00 FFAR2 (0.35) FFAR2BRD4BRD2BRD3CYP1A2
SCHEMBL2411794 0.84 BRD4 (0.38) FFAR2BRD4BRD2CYP1A2CYP3A4
SCHEMBL2411799 0.84 BRD4 (0.38) FFAR2BRD4BRD2CYP1A2CYP3A4
SCHEMBL315190 0.84 CTSA (0.32) FFAR2BRD4BRD2BRD3CYP1A2
SCHEMBL315191 0.84 CTSA (0.32) FFAR2BRD4BRD2BRD3CYP1A2
SCHEMBL316566 0.83 CYP1A2 (0.34) FFAR2BRD4BRD2BRD3CYP1A2
SCHEMBL316567 0.83 CYP1A2 (0.34) FFAR2BRD4BRD2BRD3CYP1A2
SCHEMBL1974071 0.80 CHRNB2 (0.37)
SCHEMBL1974067 0.80 CHRNB2 (0.37)
SCHEMBL2412237 0.80 BTK (0.36) FFAR2BRD4CYP1A2CYP3A4CYP2C19

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 FFAR2 3373/4885BRD4 3810/4885BRD2 4694/4885

“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.