SCHEMBL2417355

SCHEMBL2417355

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 13/20 0.41
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
DHODH Q02127 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NAAA Q02083 1/20 0.34
ABL1 P00519 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL2417357 1.00 FFAR4 (0.41) FFAR4ALOX5APFEN1DHODHHDAC6
SCHEMBL2412244 0.90 FFAR4 (0.33) FFAR4DHODH
SCHEMBL2412250 0.90 FFAR4 (0.33) FFAR4DHODH
SCHEMBL2414248 0.85 EIF4E (0.38) FFAR4ALOX5APFEN1DHODHHDAC6
SCHEMBL2414245 0.85 EIF4E (0.38) FFAR4ALOX5APFEN1DHODHHDAC6
SCHEMBL2413910 0.85 ERN1 (0.34)
SCHEMBL2413909 0.85 ERN1 (0.34)
SCHEMBL2410451 0.84 ABCB1 (0.31)
SCHEMBL2410439 0.84 ABCB1 (0.31)
SCHEMBL315187 0.83 SCN9A (0.34) FFAR4ALOX5APFEN1HDAC6ABL1

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 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.