SCHEMBL6103187

SCHEMBL6103187

CC(C)(C)C(=O)c1sc(NC(=O)c2cc(Cl)ccc2OC(=O)N2CCOCC2)nc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 4/20 0.41
GAA P10253 2/20 0.41
CFTR P13569 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 3/20 0.39
LRRK2 Q5S007 1/20 0.39
ADORA2A P29274 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
LMNA P02545 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL331571 0.84 NR1H4 (0.45) ALDH1A1HSD17B10NPSR1GAAMAPT
SCHEMBL6101128 0.80 MAPT (0.42) ALDH1A1HSD17B10NPSR1GAAMAPT
SCHEMBL19627216 0.78 LRRK2 (0.57) ALDH1A1HSD17B10NPSR1GAAMAPT
SCHEMBL330373 0.77 KCNMA1 (0.50) MEN1KMT2A
SCHEMBL19612090 0.76 LRRK2 (0.59) ALDH1A1HSD17B10NPSR1GAAKDM4E
SCHEMBL6101008 0.74 POLB (0.54) ALDH1A1HSD17B10NPSR1GAAMAPT
SCHEMBL6102790 0.73 LRRK2 (0.41) ALDH1A1HSD17B10NPSR1GAAMAPT
SCHEMBL19627242 0.72 ALDH1A1 (0.50) ALDH1A1HSD17B10NPSR1GAAMAPT
SCHEMBL13698751 0.71 TMPRSS4 (0.55) ALDH1A1HSD17B10NPSR1GAAKDM4E
SCHEMBL19612133 0.70 HSD17B10 (0.47) ALDH1A1HSD17B10NPSR1GAAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA ALDH1A1 535/4885HSD17B10 3438/4885NPSR1 2003/4885

“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.