SCHEMBL2412082

SCHEMBL2412082

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cc(-c2ccc(F)nc2)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.34
CYP11B2 P19099 2/20 0.33
F2R P25116 1/20 0.33
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
CYP11B1 P15538 1/20 0.31
NTMT1 Q9BV86 1/20 0.31
MET P08581 1/20 0.30
GRIA2 P42262 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL2412084 1.00 KMO (0.34) KMOCYP11B2F2RGRIN1GRIN2B
SCHEMBL314155 0.91 F2R (0.32) F2RNTMT1
SCHEMBL314156 0.91 F2R (0.32) F2RNTMT1
SCHEMBL2411649 0.90 KMO (0.35) KMOF2RGRIN1GRIN2BPDE4A
SCHEMBL2411645 0.90 KMO (0.35) KMOF2RGRIN1GRIN2BPDE4A
SCHEMBL2408349 0.89 DYRK1A (0.35) KMO
SCHEMBL2408347 0.89 DYRK1A (0.35) KMO
SCHEMBL314503 0.89 F2R (0.33) F2RNTMT1
SCHEMBL314502 0.89 F2R (0.33) F2RNTMT1
SCHEMBL2415176 0.87 F2R (0.32) F2RNTMT1LIPG

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 KMO 782/4885CYP11B2 198/4885F2R 635/4885

“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.