SCHEMBL3166336

SCHEMBL3166336

CCC(C(=O)NC(CC(=O)O)C(=O)CF)c1c(C)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.45
CASP8 Q14790 4/20 0.41
CASP7 P55210 3/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP1 P29466 3/20 0.38
BRD4 O60885 2/20 0.37
LCK P06239 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 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
SCHEMBL3182695 0.91 CASP3 (0.43) CASP3CASP8CASP7CASP9CASP6
SCHEMBL3177183 0.89 CRHBP (0.37) CASP3CASP8CASP7CASP9CASP6
SCHEMBL3175904 0.87 CASP3 (0.41) CASP3CASP8CASP7CASP9CASP6
SCHEMBL13531583 0.87 BRD4 (0.38) CASP3CASP8CASP7CASP9CASP6
SCHEMBL3166284 0.85 CASP3 (0.47) CASP3CASP8CASP7CASP9CASP6
SCHEMBL3175412 0.85 CASP3 (0.43) CASP3CASP8CASP7CASP9CASP6
SCHEMBL27766863 0.84 BRD4 (0.36) BRD4LCKBRD2BRD3BRDT
SCHEMBL4252907 0.83 CASP3 (0.43) CASP3CASP8CASP7CASP9CASP6
SCHEMBL27788593 0.81 CASP3 (0.42) CASP3CASP8CASP7CASP9CASP6
SCHEMBL3187426 0.80 L3MBTL1 (0.40) CASP3CASP8CASP7CASP9CASP6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2010-01-21 US disclosed
US-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2010-01-21 US disclosed
CN-101558041-A Caspase inhibitors based on pyridone scaffold LG LIFE SCIENCES LTD (KR) 2009-10-14 CN disclosed
EP-2079698-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-07-22 EP disclosed
WO-2008056898-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-05-15 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-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD CASP1, CASP5, CASP2 CASP3 9/4885CASP8 11/4885CASP7 6/4885

“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.