SCHEMBL13598462

SCHEMBL13598462

CCNC(=O)CCCN1C(=O)CCc2c(CC3SC(=O)NC3=O)ccc(OC)c21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.43
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PKM P14618 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ THRB P10828 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 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
SCHEMBL97338 0.81 CA2 (0.49) CA2HPGDHTTPTPN1KDM4E
SCHEMBL96109 0.78 CA2 (0.44) CA2HPGDSMN1; SMN2HTTPTPN1
SCHEMBL13602443 0.77 CA2 (0.48) CA2HPGDPTPN1HSD17B10MAPT
SCHEMBL94894 0.77 CA2 (0.47) CA2HPGDPTPN1HSD17B10MAPT
SCHEMBL94741 0.77 CA2 (0.52) CA2PTPN1GAAMAPTALDH1A1
SCHEMBL98093 0.77 CA2 (0.45) CA2HTTPTPN1THRBGAA
SCHEMBL98238 0.77 CA2 (0.46) CA2HPGDPTPN1HSD17B10MAPT
SCHEMBL95628 0.77 MAPT (0.47) CA2HPGDPTPN1HSD17B10MAPT
SCHEMBL95913 0.77 CA2 (0.46) CA2HPGDSMN1; SMN2PTPN1HSD17B10
SCHEMBL13598459 0.76 MAPT (0.43) CA2HPGDSMN1; SMN2THRBMAPT

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 823/4885HPGD 2146/4885SMN1; SMN2 3998/4885

“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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