SCHEMBL2410982

SCHEMBL2410982

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3ccc(O)nc3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.36
EGLN1 Q9GZT9 1/20 0.32
NAAA Q02083 1/20 0.32
FAAH O00519 3/20 0.32
PIK3CD O00329 1/20 0.32
CHEK2 O96017 1/20 0.31
FYN P06241 1/20 0.31
RPS6KA3 P51812 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
DHODH Q02127 2/20 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
SCHEMBL2410976 1.00 F2R (0.36) F2REGLN1NAAAFAAHPIK3CD
SCHEMBL2410638 0.89 F2R (0.37) F2REGLN1NAAAFAAHPIK3CD
SCHEMBL2416421 0.89 F2R (0.39) F2REGLN1NAAAFAAHCHEK2
SCHEMBL2410640 0.89 F2R (0.37) F2REGLN1NAAAFAAHPIK3CD
SCHEMBL2416424 0.89 F2R (0.39) F2REGLN1NAAAFAAHCHEK2
SCHEMBL2409613 0.89 HSD17B1 (0.42) F2REGLN1NAAAFAAHPIK3CD
SCHEMBL2409610 0.89 HSD17B1 (0.42) F2REGLN1NAAAFAAHPIK3CD
SCHEMBL2411304 0.88 PSEN1 (0.36) F2REGLN1NAAAFAAHPIK3CD
SCHEMBL2411303 0.88 PSEN1 (0.36) F2REGLN1NAAAFAAHPIK3CD
SCHEMBL2413398 0.87 CTSA (0.37) F2RNAAAPIK3CD

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 2 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

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 F2R 635/4885EGLN1 822/4885NAAA 3119/4885

“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.