SCHEMBL314950

SCHEMBL314950

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccnc1-c1ccoc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL314951 1.00 PTPN1 (0.34) PTPN1PTPN6PTPN11KDM4EALDH1A1
SCHEMBL316756 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL316757 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2142546 0.87 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2142538 0.87 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL315596 0.86 CYP11B1 (0.35) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL315595 0.86 CYP11B1 (0.35) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2141735 0.85 CACNA1B (0.37) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2141743 0.85 CACNA1B (0.37) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL3397292 0.85 PTPN1 (0.34) PTPN1PTPN6PTPN11POLBGAA

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 PTPN1 274/4885PTPN6 252/4885PTPN11 469/4885

“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.