SCHEMBL2411019

SCHEMBL2411019

Cc1nc(C)c(-c2cccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.34
JAK2 O60674 1/20 0.34
HCRTR1 O43613 7/20 0.33
HCRTR2 O43614 7/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX5 P09917 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
IDH1 O75874 1/20 0.30
PDK1 Q15118 2/20 0.30
PDK2 Q15119 2/20 0.30
PDK3 Q15120 2/20 0.30
PDK4 Q16654 2/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL2411015 1.00 COMT (0.34) COMTJAK2HCRTR1HCRTR2MEN1
SCHEMBL315092 0.84
SCHEMBL315091 0.84
SCHEMBL2408684 0.81 CHEK1 (0.41)
SCHEMBL2408685 0.81 CHEK1 (0.41)
SCHEMBL2410202 0.80 CYP2A6 (0.35)
SCHEMBL2410199 0.80 CYP2A6 (0.35)
SCHEMBL315561 0.78 TRPV4 (0.38) COMTMEN1KMT2A
SCHEMBL2409220 0.78 ABL1 (0.36)
SCHEMBL315560 0.78 TRPV4 (0.38) COMTMEN1KMT2A

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 COMT 950/4885JAK2 1279/4885HCRTR1 4884/4885

“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.