SCHEMBL315279

SCHEMBL315279

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccnc1-c1cc2ccccc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
MAOB P27338 1/20 0.33
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TOP2A P11388 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
CYP19A1 P11511 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
NPY1R P25929 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL314958 0.83 ADORA2A (0.33) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL3398723 0.83 ADORA2A (0.33) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL316334 0.82 PTPN2 (0.35) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL316333 0.82 PTPN2 (0.35) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2142538 0.82 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2142546 0.82 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL315017 0.80 APP (0.38) JAK2JAK3CD74MIFKDM4E
SCHEMBL316756 0.80 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL316757 0.80 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL315595 0.79 CYP11B1 (0.35) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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 JAK2 600/4885JAK3 1385/4885MAOB 644/4885

“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.