SCHEMBL2416640

SCHEMBL2416640

O[C@@H]1[C@@H](O)[C@@H](Oc2ccc(-c3ccncc3)cc2)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
GBA1 P04062 1/20 0.33
UGCG Q16739 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
FDPS P14324 3/20 0.31
QDPR P09417 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2416638 1.00 CYP3A4 (0.34) CYP3A4CYP2D6GBA1UGCGGBA2
SCHEMBL1973756 0.91 ADORA3 (0.34) GBA1MAPTADORA3ALDH1A1HSD17B10
SCHEMBL2411514 0.86 GBA1 (0.35) GBA1UGCGGBA2ADORA3FDPS
SCHEMBL2411509 0.86 GBA1 (0.35) GBA1UGCGGBA2ADORA3FDPS
SCHEMBL2411432 0.85 CYP19A1 (0.41) CYP3A4CYP2D6GBA1UGCGGBA2
SCHEMBL2411436 0.85 CYP19A1 (0.41) CYP3A4CYP2D6GBA1UGCGGBA2
SCHEMBL315429 0.85 ADORA3 (0.32) CYP3A4MAPTADORA3KDM4EALDH1A1
SCHEMBL315430 0.85 ADORA3 (0.32) CYP3A4MAPTADORA3KDM4EALDH1A1
SCHEMBL2408725 0.85 MGLL (0.37) ADORA3
SCHEMBL2408727 0.85 MGLL (0.37) ADORA3

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 CYP3A4 86/4885CYP2D6 60/4885GBA1 3030/4885

“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.