SCHEMBL2406893

SCHEMBL2406893

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3nccs3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
FFAR1 O14842 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
NTRK1 P04629 2/20 0.35
KAT6A Q92794 1/20 0.34
CTSA P10619 2/20 0.33
CARM1 Q86X55 1/20 0.33
EGFR P00533 1/20 0.33
PDPK1 O15530 1/20 0.33
KCNB1 Q14721 2/20 0.33

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
SCHEMBL2406890 1.00 ABL1 (0.39) ABL1BCRFFAR1PTGDR2HCRTR1
SCHEMBL316467 0.86 SMPD3 (0.31) ABL1BCR
SCHEMBL316468 0.86 SMPD3 (0.31) ABL1BCR
SCHEMBL2412632 0.84 MGLL (0.37)
SCHEMBL2412630 0.84 MGLL (0.37)
SCHEMBL2411863 0.83 ABL1 (0.37) ABL1BCRFFAR1HCRTR1HCRTR2
SCHEMBL2411860 0.83 ABL1 (0.37) ABL1BCRFFAR1HCRTR1HCRTR2
SCHEMBL2410867 0.83 MC4R (0.34) KAT6A
SCHEMBL2417451 0.83 ABL1 (0.36) ABL1BCRFFAR1
SCHEMBL2410864 0.83 MC4R (0.34) KAT6A

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 ABL1 2708/4885BCR 3163/4885FFAR1 4195/4885

“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.