SCHEMBL2409216

SCHEMBL2409216

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3cccnc3)ccc2F)SC[C@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.40
MKNK2 Q9HBH9 8/20 0.40
ABCB1 P08183 10/20 0.38
ABCC1 P33527 4/20 0.38
CYP11B2 P19099 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL2409214 1.00 MKNK1 (0.40) MKNK1MKNK2ABCB1ABCC1CYP11B2
SCHEMBL2409467 0.93 ABCB1 (0.41) MKNK1MKNK2ABCB1ABCC1CYP11B2
SCHEMBL2409470 0.93 ABCB1 (0.41) MKNK1MKNK2ABCB1ABCC1CYP11B2
SCHEMBL2408935 0.90 CYP11B2 (0.39) MKNK1MKNK2ABCB1ABCC1CYP11B2
SCHEMBL2408934 0.90 CYP11B2 (0.39) MKNK1MKNK2ABCB1ABCC1CYP11B2
SCHEMBL2415378 0.89 MKNK1 (0.40) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL2415380 0.89 MKNK1 (0.40) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL316049 0.88 CYP11B2 (0.36) MKNK1MKNK2ABCB1ABCC1CYP11B2
SCHEMBL3400945 0.88 CYP11B2 (0.36) MKNK1MKNK2ABCB1ABCC1CYP11B2
SCHEMBL2410652 0.86 CYP11B1 (0.41) MKNK1MKNK2CYP11B2CYP19A1CYP11B1

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 MKNK1 2501/4885MKNK2 2929/4885ABCB1 867/4885

“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.