SCHEMBL315376

SCHEMBL315376

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccnc(C)c2)nc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.35
MAP4K4 O95819 1/20 0.33
WNT3A P56704 6/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
AKT1 P31749 1/20 0.31
PIK3CA P42336 1/20 0.30
ABL1 P00519 1/20 0.30
KMO O15229 1/20 0.30
DYRK1A Q13627 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
SCHEMBL315377 1.00 AAK1 (0.35) AAK1MAP4K4WNT3ACCNCCDK8
SCHEMBL314315 0.92 MAP4K4 (0.33) AAK1MAP4K4PIK3CAKMO
SCHEMBL314314 0.92 MAP4K4 (0.33) AAK1MAP4K4PIK3CAKMO
SCHEMBL3399091 0.88 MAP2K3 (0.32) DYRK1A
SCHEMBL316307 0.88 MAP2K3 (0.32) DYRK1A
SCHEMBL315432 0.87 PIK3CA (0.32) PIK3CA
SCHEMBL315433 0.87 PIK3CA (0.32) PIK3CA
SCHEMBL315005 0.84 NTMT1 (0.33)
SCHEMBL315004 0.84 NTMT1 (0.33)
SCHEMBL313987 0.84 AAK1 (0.35) AAK1MAP4K4AKT1KMO

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 AAK1 3619/4885MAP4K4 4447/4885WNT3A 3522/4885

“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.