SCHEMBL2414587

SCHEMBL2414587

O[C@@H]1[C@@H](O)[C@H](Oc2cccc(-c3cccnc3)c2)SC[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.38
MKNK2 Q9HBH9 4/20 0.38
MEN1 O00255 1/20 0.38
PSIP1 O75475 1/20 0.38
AXL P30530 1/20 0.38
CYP11B2 P19099 8/20 0.38
CYP11B1 P15538 7/20 0.38
CYP1A2 P05177 2/20 0.38
CYP19A1 P11511 5/20 0.38
KMO O15229 1/20 0.38
CYP17A1 P05093 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL2414591 1.00 MKNK1 (0.38) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL315253 0.90 CHRNB1 (0.40) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL315252 0.90 CHRNB1 (0.40) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL2410200 0.89 PRMT5 (0.35) CYP2A6PRMT5WDR77ABL1
SCHEMBL2410204 0.89 PRMT5 (0.35) CYP2A6PRMT5WDR77ABL1
SCHEMBL2408727 0.88 MGLL (0.37) PRMT5WDR77
SCHEMBL2408725 0.88 MGLL (0.37) PRMT5WDR77
SCHEMBL2411432 0.88 CYP19A1 (0.41) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL2411436 0.88 CYP19A1 (0.41) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL2418067 0.87 CYP11B1 (0.36) MKNK1MKNK2CYP11B2CYP11B1CYP1A2

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 2929/4885MEN1 4692/4885

“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.