SCHEMBL4660002

SCHEMBL4660002

CCC=NNC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MIF P14174 1/20 0.51
CYP1A2 P05177 4/20 0.50
SMN1; SMN2 Q16637 8/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL10500924 0.84 GAA (0.51) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL10343767 0.84 GAA (0.51) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL9276338 0.82 GAA (0.54) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL11306621 0.82 MIF (0.51) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL11306614 0.82 MIF (0.51) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL14196325 0.81
SCHEMBL5097687 0.80 GAA (0.47) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL5097683 0.80 GAA (0.47) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL23131067 0.78 GAA (0.57) GAAMIFCYP1A2SMN1; SMN2L3MBTL1
SCHEMBL17577099 0.78 GAA (0.53) GAAMIFCYP1A2SMN1; SMN2L3MBTL1

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
EP-2004595-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES Schering-Plough Ltd. (CH) 2008-12-24 EP disclosed
WO-2007116314-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (US) 2007-10-18 WO disclosed
US-20070238700-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (CH) 2007-10-11 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-20070238700-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES NAT1, NGLY1, ELANE GAA 1740/4885MIF 762/4885CYP1A2 592/4885

“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.