SCHEMBL441675

SCHEMBL441675

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SIRT5 Q9NXA8 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
SCHEMBL2588381 0.84 TP53 (0.42) GAATP53SMN1; SMN2PPM1BPTPN1
SCHEMBL2588378 0.84 TP53 (0.42) GAATP53SMN1; SMN2PPM1BPTPN1
SCHEMBL463005 0.80 TP53 (0.42) GAATP53SMN1; SMN2PPM1BPTPN1
SCHEMBL244740 0.80
SCHEMBL2200767 0.80 TP53 (0.56) GAATP53SMN1; SMN2PPM1BPTPN1
SCHEMBL2948892 0.80 TP53 (0.56) GAATP53SMN1; SMN2PPM1BPTPN1
SCHEMBL74396 0.80 TP53 (0.56) GAATP53SMN1; SMN2PPM1BPTPN1
SCHEMBL442815 0.78 GAA (0.40) GAATP53SMN1; SMN2ALDH1A1
SCHEMBL29988261 0.78 SMN1; SMN2 (0.38) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL29988061 0.78 TP53 (0.38) GAATP53SMN1; SMN2CHRNB2CHRNA4

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 2780/4885SMN1; SMN2 2301/4885

“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.