SCHEMBL13598454

SCHEMBL13598454

COc1ccc(CC2SC(=O)NC2=O)c2c1N(Cc1ccc(NC(=O)C3CCCCC3)cc1)C(=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ CCR5 P51681 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ POLB P06746 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ ENPP2 Q13822 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
SCHEMBL13598458 0.85 CA2 (0.45) CA2MAPTPTPN1LMNAALDH1A1
SCHEMBL132379 0.85 ALDH1A1 (0.45) CA2LMNAKDM4EALDH1A1HPGD
SCHEMBL96109 0.84 CA2 (0.44) CA2MAPTPTPN1POLBLMNA
SCHEMBL94894 0.84 CA2 (0.47) CA2MAPTPTPN1POLBALDH1A1
SCHEMBL13598456 0.84 CA2 (0.42) CA2MAPTPTPN1LMNAALDH1A1
SCHEMBL13598457 0.84 TGM2 (0.39) CA2MAPTPTPN1PTGDR2LMNA
SCHEMBL98668 0.83 PTPN1 (0.45) CA2MAPTPTPN1ALDH1A1HPGD
SCHEMBL94849 0.83 PTGDR2 (0.39) CA2MAPTPTPN1PTGDR2LMNA
SCHEMBL98093 0.83 CA2 (0.45) CA2MAPTPTPN1POLBALDH1A1
SCHEMBL95628 0.83 MAPT (0.47) CA2MAPTPTPN1ALDH1A1HPGD

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 4112/4885PTPN1 1236/4885

“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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