SCHEMBL314958

SCHEMBL314958

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccnc1-c1ccc(C)o1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.33
ADORA1 P30542 6/20 0.33
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL3398723 1.00 ADORA2A (0.33) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL316334 0.85 PTPN2 (0.35) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL316333 0.85 PTPN2 (0.35) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL315279 0.83 JAK2 (0.35) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL316757 0.83 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL316756 0.83 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2142538 0.83 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2142546 0.83 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL1973110 0.82 GRIN1 (0.36)
SCHEMBL1973109 0.82 GRIN1 (0.36)

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 ADORA2A 1894/4885ADORA1 1940/4885KDM4E 1220/4885

“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.