SCHEMBL6101128

SCHEMBL6101128

CC(C)(C)C(=O)c1sc(NC(=O)c2cc(Cl)ccc2OP(=O)(O)O)nc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ RXFP1 Q9HBX9 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ KCNMA1 Q12791 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.41
▸ DCLK1 O15075 1/20 0.41
▸ FES P07332 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ HIPK4 Q8NE63 1/20 0.41

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 0.87 NR1H4 (0.45) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL6102790 0.84 LRRK2 (0.41) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL330373 0.83 KCNMA1 (0.50) KCNMA1MAP4K5MEN1KMT2A
SCHEMBL6103187 0.80 ALDH1A1 (0.45) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL3475591 0.72 RAB9A (0.56) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL330258 0.71 TMPRSS4 (0.43) MAPTRXFP1GAAALDH1A1NPC1
SCHEMBL944850 0.69 KCNMA1 (0.57) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL945105 0.68 RAB9A (0.71) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL344352 0.66 ALDH1A1 (0.67) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL330170 0.66 TMPRSS4 (0.51) KCNMA1MAP4K5MEN1KMT2A

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 MAPT 3363/4885RXFP1 1086/4885KDM4E 1885/4885

“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.

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