SCHEMBL2417047

SCHEMBL2417047

Cc1cncc(-c2cccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
FPR2 P25090 1/20 0.35
CYP2A6 P11509 2/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
PIK3CG P48736 1/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL2417043 1.00 S1PR1 (0.39) S1PR1FPR2CYP2A6XDHSLC22A12
SCHEMBL314720 0.89 CYP2A6 (0.35) S1PR1CYP2A6PIK3CGCHRNB1CHRNB2
SCHEMBL314721 0.89 CYP2A6 (0.35) S1PR1CYP2A6PIK3CGCHRNB1CHRNB2
SCHEMBL2411967 0.89 CYP11B1 (0.41) BACE1BACE2PIK3CGCYP11B1CYP11B2
SCHEMBL2411961 0.89 CYP11B1 (0.41) BACE1BACE2PIK3CGCYP11B1CYP11B2
SCHEMBL2141660 0.86 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL2141651 0.86 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL2409280 0.86 BACE1 (0.35) FPR2XDHSLC22A12BACE1BACE2
SCHEMBL2411823 0.86 PRMT5 (0.39) FPR2BACE1BACE2PIK3CGCYP11B1
SCHEMBL2411825 0.86 PRMT5 (0.39) FPR2BACE1BACE2PIK3CGCYP11B1

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 S1PR1 2692/4885FPR2 1722/4885CYP2A6 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.