SCHEMBL314954

SCHEMBL314954

O[C@@H]1[C@@H](O)[C@@H](Oc2cc(-c3ccccn3)cnc2F)SC[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
GRM5 P41594 1/20 0.32
AXL P30530 1/20 0.32
ERN1 O75460 1/20 0.32
TNKS O95271 1/20 0.32
CHEK2 O96017 1/20 0.32
MAP3K12 Q12852 1/20 0.31
CYP2A6 P11509 1/20 0.31
CNR2 P34972 1/20 0.30
PDE4A P27815 1/20 0.30
FLT3 P36888 1/20 0.30
SYK P43405 1/20 0.30
AURKB Q96GD4 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
SCHEMBL314953 1.00 PDK2 (0.33) PDK2GRM5AXLERN1TNKS
SCHEMBL2410026 0.87 ERN1 (0.34) PDK2ERN1PDE4A
SCHEMBL2410028 0.87 ERN1 (0.34) PDK2ERN1PDE4A
SCHEMBL316023 0.83 PDGFRB (0.33) AURKB
SCHEMBL316024 0.83 PDGFRB (0.33) AURKB
SCHEMBL2411076 0.82 P2RX7 (0.38) PDK2GRM5ERN1PDE4A
SCHEMBL2411069 0.82 P2RX7 (0.38) PDK2GRM5ERN1PDE4A
SCHEMBL314886 0.82 CYP11B2 (0.37) CYP2A6
SCHEMBL314885 0.82 CYP11B2 (0.37) CYP2A6
SCHEMBL315119 0.81 GBA1 (0.34) GRM5

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 PDK2 1129/4885GRM5 1127/4885AXL 888/4885

“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.