SCHEMBL13598469

SCHEMBL13598469

Cc1ccc(CN2C(=O)CCc3c(CC4SC(=S)NC4=O)cccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.42
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MDH2 P40926 2/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HCRTR2 O43614 1/20 0.33

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
SCHEMBL97974 0.90 CA2 (0.42) CA2MDH2POLBKMT2A
SCHEMBL98188 0.90 CA2 (0.46) CA2SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL5284601 0.86 CA2 (0.39) CA2POLBKMT2A
SCHEMBL13598471 0.86 CA2 (0.42) CA2GAASMN1; SMN2POLBKMT2A
Hydrochloric Acid SCHEMBL131181 0.86 CA2 (0.38) CA2POLBKMT2A
SCHEMBL95693 0.86 CA2 (0.43) CA2GAASMN1; SMN2POLBKMT2A
SCHEMBL13598449 0.80 FFAR1 (0.44) CA2ALDH1A1POLB
SCHEMBL96366 0.75 HRH3 (0.46) CA2ALDH1A1POLBKMT2A
SCHEMBL94320 0.74 CA2 (0.46) CA2SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL13598464 0.73 CA2 (0.47) CA2SMN1; SMN2ALDH1A1PIK3CGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 — — WO 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CA2 823/4885GAA 4574/4885SMN1; SMN2 3998/4885

“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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