SCHEMBL3166284

SCHEMBL3166284

CCC(C(=O)NC(CC(=O)O)C(=O)CF)c1cccn(Cc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 8/20 0.47
BRD4 O60885 2/20 0.43
CASP7 P55210 2/20 0.42
CASP8 Q14790 2/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
CASP1 P29466 3/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL3175794 0.92 CASP3 (0.46) CASP3BRD4CASP7CASP8CASP9
SCHEMBL3182350 0.88 KDM4E (0.39) CASP3BRD4CASP7CASP8CASP9
SCHEMBL3172374 0.87 CASP3 (0.49) CASP3BRD4CASP7CASP8CASP9
SCHEMBL3175817 0.86 CASP3 (0.39) CASP3CASP7CASP8CASP9CASP6
SCHEMBL13531564 0.86 BRD4 (0.45) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL3166336 0.85 CASP3 (0.45) CASP3BRD4CASP7CASP8CASP9
SCHEMBL4249823 0.83 CASP3 (0.46) CASP3CASP7CASP8CASP9CASP6
SCHEMBL3183997 0.81 KDM4E (0.38) CASP3BRD4CASP7CASP8CASP9
SCHEMBL4251515 0.76 CASP3 (0.43) CASP3CASP7CASP8CASP9CASP6
SCHEMBL4252907 0.76 CASP3 (0.43) CASP3CASP7CASP8CASP9CASP6

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 6 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
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 9/4885BRD4 537/4885CASP7 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.