SCHEMBL13598465

SCHEMBL13598465

COc1ccc(CC2SC(=S)NC2=O)c2c1N(Cc1ccc3ccccc3c1)C(=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.49
▸ HCRTR1 O43613 6/20 0.40
▸ HCRTR2 O43614 6/20 0.40
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL95070 0.92 CA2 (0.48) CA2HCRTR1HCRTR2KMT2AMEN1
SCHEMBL94320 0.88 CA2 (0.46) CA2HCRTR1HCRTR2KMT2AMEN1
SCHEMBL13598464 0.86 CA2 (0.47) CA2KMT2AMEN1PTPN1ALDH1A1
SCHEMBL94559 0.83 CA2 (0.48) CA2HCRTR1HCRTR2PTPN1SIRT2
SCHEMBL13598471 0.83 CA2 (0.42) CA2HCRTR1HCRTR2KMT2AMEN1
SCHEMBL13598468 0.82 CA2 (0.49) CA2KMT2AMEN1PTPN1ALDH1A1
SCHEMBL94741 0.82 CA2 (0.52) CA2KMT2AMEN1PTPN1ALDH1A1
SCHEMBL95126 0.81 CA2 (0.51) CA2PTPN1
SCHEMBL13598466 0.81 CA2 (0.51) CA2PTPN1
SCHEMBL98176 0.81 ABCB1 (0.43) CA2KMT2APTPN1MCHR1ALDH1A1

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 823/4885HCRTR1 2814/4885HCRTR2 2878/4885

“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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