SCHEMBL2415176

SCHEMBL2415176

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3ccc(F)nc3)cc(F)c2F)SC[C@H]1OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
NTMT1 Q9BV86 1/20 0.31
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 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
SCHEMBL2415174 1.00 F2R (0.32) F2RLIPGNTMT1BCL9CTNNB1
SCHEMBL2414635 0.92 FFAR4 (0.32) F2R
SCHEMBL2414631 0.92 FFAR4 (0.32) F2R
SCHEMBL314502 0.89 F2R (0.33) F2RNTMT1
SCHEMBL314503 0.89 F2R (0.33) F2RNTMT1
SCHEMBL2415874 0.88 CTSC (0.33)
SCHEMBL2415876 0.88 CTSC (0.33)
SCHEMBL314155 0.87 F2R (0.32) F2RNTMT1
SCHEMBL2412082 0.87 KMO (0.34) F2RLIPGNTMT1
SCHEMBL2412448 0.87 GSK3B (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 F2R 635/4885LIPG 213/4885NTMT1 1682/4885

“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.