SCHEMBL315862

SCHEMBL315862

O[C@@H]1[C@@H](O)[C@@H](Oc2ccc(-c3ccnc(Cl)c3)nc2)SC[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
AAK1 Q2M2I8 5/20 0.33
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK2 P24941 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
GSK3B P49841 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MTOR P42345 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
BMP2K Q9NSY1 1/20 0.31
CYP19A1 P11511 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL315861 1.00 IDO1 (0.35) IDO1AAK1CDC7ROCK2MAP4K4
SCHEMBL315695 0.87 WNT3A (0.36) AAK1
SCHEMBL313710 0.87 IDO1 (0.35) IDO1ROCK2MAP4K4MTOR
SCHEMBL315694 0.87 WNT3A (0.36) AAK1
SCHEMBL313709 0.87 IDO1 (0.35) IDO1ROCK2MAP4K4MTOR
SCHEMBL314765 0.85 NAAA (0.33)
SCHEMBL314764 0.85 NAAA (0.33)
SCHEMBL314276 0.85 CYP11B1 (0.35)
SCHEMBL314277 0.85 CYP11B1 (0.35)
SCHEMBL316906 0.82 GRM5 (0.32) MTOR

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 IDO1 1182/4885AAK1 3619/4885CDC7 3488/4885

“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.