SCHEMBL5487061

SCHEMBL5487061

COC(=O)CC(C)c1ccc(SC(=O)N(C)C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
FDPS P14324 2/20 0.36
KCNA5 P22460 1/20 0.35

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
SCHEMBL5454580 0.76 TSHR (0.55) PDE4D
SCHEMBL5438334 0.76 TNF (0.44) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL5449787 0.75 TNF (0.47) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21729817 0.75 TNF (0.47) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL11074664 0.72 ALDH1A1 (0.49)
SCHEMBL834628 0.72 POLB (0.43)
SCHEMBL23746593 0.72 TNF (0.45) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL31260333 0.71 HTR7 (0.44)
SCHEMBL5476880 0.71 ALDH1A1 (0.49)
SCHEMBL5466096 0.70 ALDH1A1 (0.51) FDPS

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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP 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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA TNF 4697/4885PDE4A 1987/4885PDE4B 2346/4885

“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.