SCHEMBL887419

SCHEMBL887419

CC(=O)C(C(C)=O)C(NC(=O)OC(C)(C)C)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
ABCB1 P08183 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
XBP1 P17861 2/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL887425 0.87 CYP1A2 (0.45) CTSSCTSKALDH1A1SMN1; SMN2MAPT
SCHEMBL887428 0.87 CTSS (0.44) PPARGCTSSCTSKLMNAMAPT
SCHEMBL887458 0.87 CTSK (0.51) PPARGPPARACTSSCTSKMAPT
SCHEMBL14327800 0.87 CTSK (0.51) PPARGPPARACTSSCTSKMAPT
SCHEMBL13168624 0.87 CTSK (0.51) PPARGPPARACTSSCTSKMAPT
SCHEMBL887449 0.86 ABCB1 (0.49) PPARGPPARACTSSCTSKALDH1A1
SCHEMBL8912015 0.81 PPARA (0.46) PPARGPPARACTSSCTSKALDH1A1
SCHEMBL12241565 0.80 PPARG (0.43) PPARGPPARACTSSCTSKALDH1A1
SCHEMBL17947276 0.79 CTSS (0.44) PPARGPPARACTSSCTSKGPR139
SCHEMBL15355250 0.79 CYP3A4 (0.58) PPARGPPARACTSSCTSKMAPT

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 PPARG 4533/4885PPARA 4014/4885CTSS 4383/4885

“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.