SCHEMBL442815

SCHEMBL442815

COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CCl)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.38
UBE2N P61088 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2C19 P33261 1/20 0.34
TRPA1 O75762 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
SCHEMBL442814 1.00 GAA (0.40) GAATP53UBE2NSMN1; SMN2CYP3A4
SCHEMBL443194 0.79 GAA (0.37) GAATP53UBE2NSMN1; SMN2CYP3A4
SCHEMBL443195 0.79 GAA (0.37) GAATP53UBE2NSMN1; SMN2CYP3A4
SCHEMBL441675 0.78 GAA (0.44) GAATP53SMN1; SMN2ALDH1A1
SCHEMBL463005 0.78 TP53 (0.42) GAATP53SMN1; SMN2KMT2A
SCHEMBL2588381 0.78 TP53 (0.42) GAATP53SMN1; SMN2
SCHEMBL2588378 0.78 TP53 (0.42) GAATP53SMN1; SMN2
SCHEMBL438897 0.78 ALDH1A1 (0.37) GAATP53UBE2NSMN1; SMN2ALDH1A1
SCHEMBL438898 0.78 ALDH1A1 (0.37) GAATP53UBE2NSMN1; SMN2ALDH1A1
SCHEMBL29988105 0.75 ALDH1A1 (0.59) GAASMN1; SMN2KMT2AALDH1A1

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-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 106/4885TP53 2780/4885UBE2N 3625/4885

“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.