SCHEMBL2409613

SCHEMBL2409613

COc1ccc(-c2cccc(O[C@H]3SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PIK3CD O00329 7/20 0.38
PIK3CA P42336 5/20 0.38
PIK3CG P48736 5/20 0.38
PIK3CB P42338 4/20 0.38
CTSA P10619 1/20 0.38
FAAH O00519 4/20 0.37
KCNH2 Q12809 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
F2R P25116 1/20 0.35
NAAA Q02083 1/20 0.35
JAK1 P23458 1/20 0.34

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
SCHEMBL2409610 1.00 HSD17B1 (0.42) HSD17B1HSD17B2PIK3CDPIK3CAPIK3CG
SCHEMBL314909 0.89 MKNK1 (0.36) HSD17B1HSD17B2PIK3CDPIK3CAPIK3CG
SCHEMBL3401178 0.89 MKNK1 (0.36) HSD17B1HSD17B2PIK3CDPIK3CAPIK3CG
SCHEMBL2410976 0.89 F2R (0.36) HSD17B1HSD17B2PIK3CDFAAHEGLN1
SCHEMBL2410982 0.89 F2R (0.36) HSD17B1HSD17B2PIK3CDFAAHEGLN1
SCHEMBL2409361 0.89 PRMT5 (0.35) CTSAEGLN1F2RNAAAJAK1
SCHEMBL2409364 0.89 PRMT5 (0.35) CTSAEGLN1F2RNAAAJAK1
SCHEMBL2416421 0.88 F2R (0.39) FAAHEGLN1F2RNAAA
SCHEMBL2416424 0.88 F2R (0.39) FAAHEGLN1F2RNAAA
SCHEMBL2410640 0.88 F2R (0.37) PIK3CDFAAHKCNH2EGLN1F2R

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 HSD17B1 1048/4885HSD17B2 1172/4885PIK3CD 799/4885

“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.