SCHEMBL13598458

SCHEMBL13598458

COc1ccc(OC(=O)Nc2ccc(CN3C(=O)CCc4c(CC5SC(=O)NC5=O)ccc(OC)c43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ ESR2 Q92731 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PPARG P37231 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ MPC2 O95563 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ BLM P54132 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
SCHEMBL13598456 0.95 CA2 (0.42) CA2MAPTESR2TDP1PPARG
SCHEMBL13598457 0.87 TGM2 (0.39) CA2MAPTPTPN1FFAR1LMNA
SCHEMBL98353 0.86 CA2 (0.38) CA2MAPTTSHRMAPK1PTPN1
SCHEMBL97433 0.85 CA2 (0.37) CA2MAPTTSHRMAPK1PTPN1
SCHEMBL13598454 0.85 CA2 (0.39) CA2MAPTPTPN1LMNAALDH1A1
SCHEMBL94849 0.85 PTGDR2 (0.39) CA2MAPTPTPN1CYP2C9LMNA
SCHEMBL96109 0.84 CA2 (0.44) CA2MAPTPPARGPTPN1MPC2
SCHEMBL94894 0.84 CA2 (0.47) CA2MAPTTDP1PPARGTSHR
SCHEMBL98668 0.83 PTPN1 (0.45) CA2MAPTTDP1PPARGTSHR
SCHEMBL13602443 0.83 CA2 (0.48) CA2MAPTTDP1PPARGTSHR

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 CA2 823/4885MAPT 4112/4885ESR2 1064/4885

“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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