SCHEMBL2409467

SCHEMBL2409467

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2cccnc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.41
ABCC1 P33527 5/20 0.39
MKNK1 Q9BUB5 5/20 0.38
MKNK2 Q9HBH9 5/20 0.38
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
CYP19A1 P11511 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
SCHEMBL2409470 1.00 ABCB1 (0.41) ABCB1ABCC1MKNK1MKNK2CYP11B2
SCHEMBL2409214 0.93 MKNK1 (0.40) ABCB1ABCC1MKNK1MKNK2CYP11B2
SCHEMBL2409216 0.93 MKNK1 (0.40) ABCB1ABCC1MKNK1MKNK2CYP11B2
SCHEMBL2408935 0.90 CYP11B2 (0.39) ABCB1ABCC1MKNK1MKNK2CYP11B2
SCHEMBL2408934 0.90 CYP11B2 (0.39) ABCB1ABCC1MKNK1MKNK2CYP11B2
SCHEMBL2417231 0.88 CYP17A1 (0.37) ABCB1ABCC1CYP11B2CYP11B1CYP19A1
SCHEMBL2417235 0.88 CYP17A1 (0.37) ABCB1ABCC1CYP11B2CYP11B1CYP19A1
SCHEMBL2415378 0.87 MKNK1 (0.40) MKNK1MKNK2CYP11B2CYP11B1CYP19A1
SCHEMBL2415380 0.87 MKNK1 (0.40) MKNK1MKNK2CYP11B2CYP11B1CYP19A1
SCHEMBL3400945 0.86 CYP11B2 (0.36) ABCB1ABCC1MKNK1MKNK2CYP11B2

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 ABCB1 867/4885ABCC1 2182/4885MKNK1 2501/4885

“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.