SCHEMBL2409729

SCHEMBL2409729

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(C)c(Cl)cc2-c2ccno2)SC[C@H]1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.31
AR P10275 1/20 0.30
EPHX2 P34913 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
SCHEMBL2409725 1.00 KDM4E (0.43) KDM4EALDH1A1GAASMN1; SMN2PTGDR2
SCHEMBL2410961 0.84 CYP1A2 (0.39) KDM4EALDH1A1GAASMN1; SMN2PTGDR2
SCHEMBL2410966 0.84 CYP1A2 (0.39) KDM4EALDH1A1GAASMN1; SMN2PTGDR2
SCHEMBL2417680 0.80 PTGER1 (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2417678 0.80 PTGER1 (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2418759 0.77 KDM4E (0.49) KDM4EALDH1A1GAASMN1; SMN2PTGDR2
SCHEMBL2418762 0.77 KDM4E (0.49) KDM4EALDH1A1GAASMN1; SMN2PTGDR2
SCHEMBL2412056 0.75 BRD4 (0.32)
SCHEMBL2412061 0.75 BRD4 (0.32)
SCHEMBL1974258 0.73 GPR119 (0.34)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 KDM4E 1719/4885ALDH1A1 1420/4885GAA 977/4885

“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.