SCHEMBL4252907

SCHEMBL4252907

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.43
CASP8 Q14790 4/20 0.39
CASP7 P55210 2/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CASP1 P29466 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
PFKFB3 Q16875 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
SCHEMBL4251515 0.91 CASP3 (0.43) CASP3CASP8CASP7CASP9CASP6
SCHEMBL4259019 0.90 CASP3 (0.36) CASP3CASP8CASP7CASP1MEN1
SCHEMBL4256079 0.89 CASP3 (0.44) CASP3CASP8CASP7CASP9CASP6
SCHEMBL4253389 0.85 CASP3 (0.42) CASP3CASP8CASP7CASP9CASP6
SCHEMBL4249823 0.85 CASP3 (0.46) CASP3CASP8CASP7CASP9CASP6
SCHEMBL3166336 0.83 CASP3 (0.45) CASP3CASP8CASP7CASP9CASP6
SCHEMBL4258853 0.81 NPBWR1 (0.38) CASP3CASP8CASP7CASP1MEN1
SCHEMBL4250356 0.80 ITGA4 (0.40) CASP3CASP8CASP7CASP1TP53
SCHEMBL4258911 0.79 TSHR (0.48) MEN1KMT2ATP53KDM4ETSHR
SCHEMBL13608161 0.79 ALDH1A1 (0.41) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 WO disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 CASP3 5/4885CASP8 11/4885CASP7 7/4885

“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.