SCHEMBL13598457

SCHEMBL13598457

COc1ccc(CC2SC(=O)NC2=O)c2c1N(Cc1ccc(NC(=O)OCc3ccccc3)cc1)C(=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ CA2 P00918 3/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ RCOR1 Q9UKL0 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34

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
SCHEMBL94849 0.92 PTGDR2 (0.39) PTPN1CA2PTGDR2LMNAMAPT
SCHEMBL98353 0.88 CA2 (0.38) PTPN1CA2LMNAMAPTFFAR1
SCHEMBL13598458 0.87 CA2 (0.45) PTPN1CA2LMNAMAPTFFAR1
SCHEMBL13598446 0.86 FFAR1 (0.47) PTPN1CA2FFAR1
SCHEMBL13598456 0.85 CA2 (0.42) PTPN1CA2LMNAMAPT
SCHEMBL95205 0.85 CA2 (0.45) PTPN1CA2PDE3BPDE3AFFAR1
SCHEMBL13598454 0.84 CA2 (0.39) PTPN1CA2PTGDR2LMNAMAPT
SCHEMBL98093 0.83 CA2 (0.45) PTPN1CA2MAPTFFAR1
SCHEMBL98176 0.83 ABCB1 (0.43) PTPN1CA2PTGDR2MAPT
SCHEMBL96109 0.83 CA2 (0.44) PTPN1CA2LMNAMAPT

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 2 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

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 TGM2 3255/4885PTPN1 1236/4885CA2 823/4885

“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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