SCHEMBL315009

SCHEMBL315009

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccncc2)nc1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.32
MAP2K3 P46734 1/20 0.32
CIT O14578 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
DAPK1 P53355 1/20 0.30
MAP2K1 Q02750 1/20 0.30
PKN2 Q16513 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
TLK2 Q86UE8 1/20 0.30
HIPK4 Q8NE63 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MYLK2 Q9H1R3 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
BMP2K Q9NSY1 1/20 0.30
STK39 Q9UEW8 1/20 0.30
TLK1 Q9UKI8 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 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
SCHEMBL3400288 1.00 CASP1 (0.32) CASP1MAP2K3CITDAPK3JAK2
SCHEMBL315052 0.90
SCHEMBL3398537 0.90
SCHEMBL314785 0.89 NPC1 (0.36) MKNK1MKNK2MAPT
SCHEMBL3395672 0.89 NPC1 (0.36) MKNK1MKNK2MAPT
SCHEMBL316307 0.89 MAP2K3 (0.32) MAP2K3DYRK1A
SCHEMBL3399091 0.89 MAP2K3 (0.32) MAP2K3DYRK1A
SCHEMBL313987 0.87 AAK1 (0.35) CITDAPK3JAK2DAPK1MAP2K1
SCHEMBL313988 0.87 AAK1 (0.35) CITDAPK3JAK2DAPK1MAP2K1
SCHEMBL314261 0.85 NTMT1 (0.32)

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 3 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

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 CASP1 1884/4885MAP2K3 4138/4885CIT 3953/4885

“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.