SCHEMBL2412970

SCHEMBL2412970

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(-c3cccnc3)cc2F)SC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.39
MKNK1 Q9BUB5 4/20 0.39
MKNK2 Q9HBH9 4/20 0.39
ABCC1 P33527 5/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP1A2 P05177 1/20 0.38
PDK2 Q15119 1/20 0.37
ERN1 O75460 1/20 0.36

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
SCHEMBL2412977 1.00 ABCB1 (0.39) ABCB1MKNK1MKNK2ABCC1CYP11B1
SCHEMBL2410189 0.91 MKNK1 (0.41) ABCB1MKNK1MKNK2ABCC1CYP11B1
SCHEMBL2410194 0.91 MKNK1 (0.41) ABCB1MKNK1MKNK2ABCC1CYP11B1
SCHEMBL2412587 0.88 ERN1 (0.38) ABCB1MKNK1MKNK2ABCC1CYP11B1
SCHEMBL2412590 0.88 ERN1 (0.38) ABCB1MKNK1MKNK2ABCC1CYP11B1
SCHEMBL2411969 0.86 CYP17A1 (0.40) ABCB1ABCC1CYP11B1CYP11B2PDK2
SCHEMBL2411966 0.86 CYP17A1 (0.40) ABCB1ABCC1CYP11B1CYP11B2PDK2
SCHEMBL314886 0.84 CYP11B2 (0.37) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL2419641 0.84 MKNK1 (0.41) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL2419644 0.84 MKNK1 (0.41) MKNK1MKNK2CYP11B1CYP11B2CYP1A2

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 4 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
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 WO 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 867/4885MKNK1 2501/4885MKNK2 2929/4885

“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.