SCHEMBL2409549

SCHEMBL2409549

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccc(-c2ncccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORB Q92753 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
DHODH Q02127 3/20 0.33
PDK1 Q15118 3/20 0.32
PDK2 Q15119 3/20 0.32
PDK3 Q15120 3/20 0.32
PDK4 Q16654 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TRPA1 O75762 2/20 0.32
LMNA P02545 1/20 0.31
SCN5A Q14524 2/20 0.31
SCN9A Q15858 2/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31

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
SCHEMBL2409554 1.00 RORB (0.35) RORBPDE4APDE4BPDE4CPDE4D
SCHEMBL314808 0.89 CYP11B2 (0.33) SCN5ASCN9A
SCHEMBL3398348 0.89 CYP11B2 (0.33) SCN5ASCN9A
SCHEMBL2416235 0.89 DHODH (0.37) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL2416234 0.89 DHODH (0.37) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL2409951 0.87 RXFP1 (0.36) DHODHRXFP1LMNA
SCHEMBL2409949 0.87 RXFP1 (0.36) DHODHRXFP1LMNA
SCHEMBL2410909 0.84 ABL1 (0.37) DHODH
SCHEMBL2408960 0.84 WNK1 (0.37)
SCHEMBL2410913 0.84 ABL1 (0.37) DHODH

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 RORB 1908/4885PDE4A 1942/4885PDE4B 1894/4885

“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.