SCHEMBL3185753

SCHEMBL3185753

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccn3ncnc23)SC[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL3185741 1.00 HTT (0.34) HTTKDM4EALDH1A1NCOA1NCOA3
SCHEMBL4063475 0.83 SSTR4 (0.38) KDM4EPOLBGAA
SCHEMBL4063473 0.83 SSTR4 (0.38) KDM4EPOLBGAA
SCHEMBL4066138 0.82
SCHEMBL4066135 0.82
SCHEMBL4067977 0.80 HSD17B10 (0.33) KDM4EALDH1A1HPGD
SCHEMBL4067972 0.80 HSD17B10 (0.33) KDM4EALDH1A1HPGD
SCHEMBL4066131 0.80 CYP1A2 (0.39) CYP2C19
SCHEMBL4066126 0.80 CYP1A2 (0.39) CYP2C19
SCHEMBL4071056 0.78 KDM4E (0.36) HTTKDM4EALDH1A1HPGD

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 HTT 3798/4885KDM4E 2404/4885ALDH1A1 2550/4885

“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.