SCHEMBL314913

SCHEMBL314913

O[C@@H]1[C@@H](O)[C@@H](Oc2cccc(-c3cccnc3)n2)SC[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
CYP19A1 P11511 6/20 0.37
PIM1 P11309 1/20 0.36
KARS1 Q15046 1/20 0.36
AXL P30530 1/20 0.35
PBRM1 Q86U86 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PTK2 Q05397 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 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
SCHEMBL314912 1.00 CYP2A6 (0.42) CYP2A6CYP19A1PIM1KARS1AXL
SCHEMBL314024 0.88 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2NPC1RAB9A
SCHEMBL314023 0.88 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2NPC1RAB9A
SCHEMBL316389 0.82 NPC1 (0.39) CYP2A6CYP19A1AXLPBRM1MKNK1
SCHEMBL316388 0.82 NPC1 (0.39) CYP2A6CYP19A1AXLPBRM1MKNK1
SCHEMBL314443 0.80 CYP11B1 (0.43) CYP2A6CYP19A1NPC1RAB9AALDH1A1
SCHEMBL314442 0.80 CYP11B1 (0.43) CYP2A6CYP19A1NPC1RAB9AALDH1A1
SCHEMBL2414587 0.80 MKNK1 (0.38) CYP2A6CYP19A1AXLMKNK1MKNK2
SCHEMBL2414591 0.80 MKNK1 (0.38) CYP2A6CYP19A1AXLMKNK1MKNK2
SCHEMBL316200 0.79 LOXL2 (0.42) CYP2A6CYP19A1PIM1HSP90AA1HSP90AB1

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 CYP2A6 158/4885CYP19A1 1290/4885PIM1 1645/4885

“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.