SCHEMBL316201

SCHEMBL316201

O[C@@H]1[C@@H](O)[C@@H](Oc2ccnc(-c3cccnc3)c2)SC[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
CYP2A6 P11509 2/20 0.42
MAPKAPK2 P49137 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMO O15229 2/20 0.36
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP19A1 P11511 3/20 0.35
LRRK2 Q5S007 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PTK2 Q05397 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
PKN2 Q16513 1/20 0.33
ROS1 P08922 1/20 0.33
PIM1 P11309 1/20 0.33
ABL1 P00519 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
SCHEMBL316200 1.00 LOXL2 (0.42) LOXL2CYP2A6MAPKAPK2NPC1RAB9A
SCHEMBL315496 0.86 MAPKAPK2 (0.34) MAPKAPK2LRRK2ADORA3
SCHEMBL315497 0.86 MAPKAPK2 (0.34) MAPKAPK2LRRK2ADORA3
SCHEMBL314442 0.85 CYP11B1 (0.43) CYP2A6NPC1RAB9ACYP19A1ADORA3
SCHEMBL314443 0.85 CYP11B1 (0.43) CYP2A6NPC1RAB9ACYP19A1ADORA3
SCHEMBL2414591 0.85 MKNK1 (0.38) CYP2A6KMOCYP19A1ABL1BCR
SCHEMBL2414587 0.85 MKNK1 (0.38) CYP2A6KMOCYP19A1ABL1BCR
SCHEMBL314301 0.84 SYK (0.34) CYP2A6ADORA3
SCHEMBL314302 0.84 SYK (0.34) CYP2A6ADORA3
SCHEMBL2418067 0.84 CYP11B1 (0.36) CYP2A6CYP19A1CYP11B2

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 LOXL2 508/4885CYP2A6 158/4885MAPKAPK2 3395/4885

“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.