SCHEMBL2409488

SCHEMBL2409488

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3cncc(Cl)c3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
BACE1 P56817 4/20 0.33
KDR P35968 2/20 0.33
KCNH2 Q12809 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
DYRK1A Q13627 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL2409485 1.00 XDH (0.34) XDHSLC22A12BACE1KDRKCNH2
SCHEMBL315665 0.91 MKNK1 (0.33) MKNK1MKNK2CYP11B2
SCHEMBL3400456 0.91 MKNK1 (0.33) MKNK1MKNK2CYP11B2
SCHEMBL2412501 0.89 CYP11B1 (0.39) BACE1KDRBACE2MKNK1MKNK2
SCHEMBL2411957 0.89 S1PR1 (0.35) XDHSLC22A12BACE1KDRBACE2
SCHEMBL2411954 0.89 S1PR1 (0.35) XDHSLC22A12BACE1KDRBACE2
SCHEMBL2412498 0.89 CYP11B1 (0.39) BACE1KDRBACE2MKNK1MKNK2
SCHEMBL2413532 0.89 F2R (0.35) BACE1KDRBACE2DYRK1ACYP11B1
SCHEMBL2413534 0.89 F2R (0.35) BACE1KDRBACE2DYRK1ACYP11B1
SCHEMBL5285848 0.87 CYP11B1 (0.39) KDRMKNK1MKNK2CYP11B1CYP11B2

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 XDH 45/4885SLC22A12 3806/4885BACE1 3683/4885

“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.