SCHEMBL104559

SCHEMBL104559

CC(C)c1cccc(C(=O)NCCS(C)(=O)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.61
KAT6A Q92794 3/20 0.52
KMT2A Q03164 2/20 0.48
PSMB8 P28062 1/20 0.48
PSMB5 P28074 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL15592354 0.89 TP53BP1 (0.61) TP53BP1KAT6AKMT2APSMB8PSMB5
SCHEMBL104557 0.82 TP53BP1 (0.67) TP53BP1KAT6AKMT2APSMB8PSMB5
SCHEMBL30277616 0.82 TP53BP1 (0.67) TP53BP1KAT6AKMT2APSMB8PSMB5
SCHEMBL21345718 0.82 TP53BP1 (0.67) TP53BP1KAT6AKMT2APSMB8PSMB5
SCHEMBL11994348 0.81 TP53BP1 (0.65) TP53BP1KAT6AKMT2APSMB8PSMB5
SCHEMBL19755858 0.81 SMN1; SMN2 (0.54) KMT2AGAAHSD17B10MEN1SMN1; SMN2
SCHEMBL18049985 0.81 SMN1; SMN2 (0.54) KMT2AGAAHSD17B10MEN1SMN1; SMN2
SCHEMBL12305721 0.80 TP53BP1 (0.64) TP53BP1KAT6AKMT2APSMB8PSMB5
SCHEMBL20646759 0.80 TP53BP1 (0.64) TP53BP1KAT6AKMT2AGAAHSD17B10
SCHEMBL30277542 0.79 TP53BP1 (0.62) TP53BP1KAT6AKMT2AGAAHSD17B10

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TP53BP1 3916/4885KAT6A 2397/4885KMT2A 2603/4885

“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.