SCHEMBL13598468

SCHEMBL13598468

COc1ccc(CC2SC(=S)NC2=O)c2c1N(CCOc1ccccc1)C(=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.49
▸ PLA2G7 Q13093 2/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ FFAR1 O14842 4/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL94559 0.89 CA2 (0.48) CA2SMN1; SMN2ALDH1A1GAAPTPN1
SCHEMBL94741 0.87 CA2 (0.52) CA2ALDH1A1GAAPTPN1MEN1
SCHEMBL95405 0.85 CA2 (0.49) CA2ALDH1A1PTPN1LMNA
SCHEMBL94320 0.84 CA2 (0.46) CA2SMN1; SMN2ALDH1A1PTPN1MEN1
SCHEMBL95819 0.83 CA2 (0.55) CA2PTPN1LMNAMAPT
SCHEMBL95126 0.83 CA2 (0.51) CA2GAAPTPN1LMNAMAPT
SCHEMBL13598466 0.83 CA2 (0.51) CA2PTPN1LMNAMAPT
SCHEMBL13598465 0.82 CA2 (0.49) CA2ALDH1A1PTPN1MEN1KMT2A
SCHEMBL13598464 0.79 CA2 (0.47) CA2SMN1; SMN2ALDH1A1PTPN1MEN1
SCHEMBL95178 0.79 CA2 (0.53) CA2PTPN1MEN1LMNAMAPT

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 823/4885PLA2G7 1933/4885RAB9A 3886/4885

“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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