SCHEMBL440267

SCHEMBL440267

COC(=O)C1CCC(C(=O)NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
BTK Q06187 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
APLNR P35414 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 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
SCHEMBL440268 1.00 GAA (0.44) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL6027856 0.91 GAA (0.50) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL31723914 0.85 GAA (0.43) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL15026749 0.85 GAA (0.45) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL21588244 0.84 GAA (0.55) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL21389843 0.84 BTK (0.53) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL5281585 0.83 GAA (0.58) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL3916388 0.83 GAA (0.58) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL29129524 0.83 GAA (0.58) GAAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL29129581 0.83 GAA (0.58) GAAKMT2AMEN1MAPK1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT GAA 106/4885KMT2A 667/4885MEN1 4411/4885

“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.