SCHEMBL2412671

SCHEMBL2412671

COc1ncccc1-c1cc(F)c(F)c(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.41
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
NAAA Q02083 2/20 0.37
ALK Q9UM73 1/20 0.34
DHODH Q02127 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
SCHEMBL2412667 1.00 FFAR4 (0.41) FFAR4ALOX5APFEN1NAAAALK
SCHEMBL2415867 0.88 PDE2A (0.33) FFAR4ALOX5APFEN1DHODH
SCHEMBL2415869 0.88 PDE2A (0.33) FFAR4ALOX5APFEN1DHODH
SCHEMBL2411819 0.83 EIF4E (0.37) ALOX5APFEN1NAAADHODH
SCHEMBL2411818 0.83 EIF4E (0.37) ALOX5APFEN1NAAADHODH
SCHEMBL2410026 0.81 ERN1 (0.34)
SCHEMBL2410028 0.81 ERN1 (0.34)
SCHEMBL316369 0.80 SCN9A (0.36) FFAR4ALOX5APFEN1NAAA
SCHEMBL316368 0.80 SCN9A (0.36) FFAR4ALOX5APFEN1NAAA
SCHEMBL2407847 0.80 CYP17A1 (0.32)

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 FFAR4 3831/4885ALOX5AP 11/4885FEN1 1136/4885

“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.