SCHEMBL443194

SCHEMBL443194

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
UBE2N P61088 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL443195 1.00 GAA (0.37) GAASMN1; SMN2TP53ALDH1A1UBE2N
SCHEMBL438898 0.86 ALDH1A1 (0.37) GAASMN1; SMN2TP53ALDH1A1UBE2N
SCHEMBL438897 0.86 ALDH1A1 (0.37) GAASMN1; SMN2TP53ALDH1A1UBE2N
SCHEMBL4782482 0.82 CYP2C19 (0.37) GAASMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL442815 0.79 GAA (0.40) GAASMN1; SMN2TP53ALDH1A1UBE2N
SCHEMBL29988261 0.79 SMN1; SMN2 (0.38) GAASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL442814 0.79 GAA (0.40) GAASMN1; SMN2TP53ALDH1A1UBE2N
SCHEMBL29987791 0.76 SMN1; SMN2 (0.36) GAASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL8284375 0.75 KMT2A (0.55)
SCHEMBL29988681 0.74 ATF4 (0.39) GAAALDH1A1UBE2NCYP2C9CYP2C19

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 4 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
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 106/4885SMN1; SMN2 2301/4885TP53 2780/4885

“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.