SCHEMBL3190237

SCHEMBL3190237

O[C@@H]1[C@@H](O)[C@@H](Oc2cccn3ncnc23)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
GLA P06280 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
MAP4K4 O95819 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
SCHEMBL3190228 1.00 KDM4E (0.34) KDM4EALDH1A1HTTHPGDCYP2C19
SCHEMBL4066424 0.79 SSTR4 (0.36) ADORA3
SCHEMBL4066428 0.79 SSTR4 (0.36) ADORA3
SCHEMBL4066590 0.76 ADORA3 (0.35) ADORA3
SCHEMBL4066596 0.76 ADORA3 (0.35) ADORA3
SCHEMBL3185753 0.74 HTT (0.34) KDM4EALDH1A1HTTHPGDCYP2C19
SCHEMBL3185741 0.74 HTT (0.34) KDM4EALDH1A1HTTHPGDCYP2C19
SCHEMBL4067505 0.74 CYP1A2 (0.44) CYP2C19
SCHEMBL4066336 0.74 PSEN1 (0.32) KDM4EHPGDADORA3
SCHEMBL4066331 0.74 PSEN1 (0.32) KDM4EHPGDADORA3

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-7652032-B2 5-Thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2010-01-26 US disclosed
EP-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP disclosed
US-20090118325-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A. (FR) 2009-05-07 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-20090118325-A1 5-Thioxylopyranose Compounds STS, F2, CBR1 KDM4E 2404/4885ALDH1A1 2550/4885HTT 3798/4885

“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.