SCHEMBL2419641

SCHEMBL2419641

O[C@@H]1[C@@H](O)[C@H](Oc2cc(-c3cccnc3)ccc2Cl)SC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.41
MKNK2 Q9HBH9 9/20 0.41
CYP2A6 P11509 2/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
CYP1A2 P05177 1/20 0.38
P2RX7 Q99572 1/20 0.37
CYP19A1 P11511 2/20 0.37
KDR P35968 1/20 0.37
JAK2 O60674 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
SCHEMBL2419644 1.00 MKNK1 (0.41) MKNK1MKNK2CYP2A6CYP11B1CYP11B2
SCHEMBL2407491 0.87 KMO (0.34) JAK2
SCHEMBL2407486 0.87 KMO (0.34) JAK2
SCHEMBL2410194 0.87 MKNK1 (0.41) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL2410189 0.87 MKNK1 (0.41) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL2413272 0.86 DYRK1A (0.36) P2RX7
SCHEMBL2413268 0.86 DYRK1A (0.36) P2RX7
SCHEMBL2410571 0.85 SCD (0.36)
SCHEMBL2410574 0.85 SCD (0.36)
SCHEMBL2412970 0.84 ABCB1 (0.39) 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 MKNK1 2501/4885MKNK2 2929/4885CYP2A6 131/4885

“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.