SCHEMBL315365

SCHEMBL315365

COc1ncccc1-c1ccc(O[C@@H]2SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.34
EIF4E P06730 1/20 0.34
DHODH Q02127 1/20 0.33
PDCD1LG2 Q9BQ51 3/20 0.33
CD274 Q9NZQ7 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSA P10619 1/20 0.31
MTOR P42345 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
SCN9A Q15858 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KDM4E B2RXH2 4/20 0.30
ALDH1A1 P00352 3/20 0.30
HPGD P15428 3/20 0.30
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL315366 1.00 IRAK4 (0.34) IRAK4EIF4EDHODHPDCD1LG2CD274
SCHEMBL316033 0.89 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL316034 0.89 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL314900 0.83 PDE10A (0.37) DHODHHDAC6MTORSCN9APDE10A
SCHEMBL315696 0.83 PDE10A (0.37) DHODHHDAC6MTORSCN9APDE10A
SCHEMBL2414248 0.82 EIF4E (0.38) EIF4EDHODHHDAC6KDM4EMAPT
SCHEMBL2414245 0.82 EIF4E (0.38) EIF4EDHODHHDAC6KDM4EMAPT
SCHEMBL315009 0.82 CASP1 (0.32) MAPT
SCHEMBL3400288 0.82 CASP1 (0.32) MAPT
SCHEMBL3395672 0.82 NPC1 (0.36) KDM4EALDH1A1MAPTCYP3A4

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 IRAK4 3440/4885EIF4E 1665/4885DHODH 24/4885

“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.