SCHEMBL4253012

SCHEMBL4253012

CCC(C(=O)NC(CC(=O)O)C(=O)CF)c1ccnn(Cc2csc(C)n2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 16/20 0.35
CASP7 P55210 7/20 0.34
CASP8 Q14790 7/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
FEN1 P39748 1/20 0.34
CASP1 P29466 6/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
SLC12A2 P55011 1/20 0.32
SLC12A5 Q9H2X9 1/20 0.32

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
SCHEMBL4254759 0.89 BACE1 (0.32) AURKAAURKB
SCHEMBL13619962 0.88 FEN1 (0.35) FEN1PTGDR2AURKAAURKBSLC12A2
SCHEMBL4250483 0.85 CASP3 (0.36) CASP3CASP7CASP8CASP9CASP6
SCHEMBL4249823 0.83 CASP3 (0.46) CASP3CASP7CASP8CASP9CASP6
SCHEMBL13608160 0.81 CASP3 (0.41) CASP3CASP7CASP8CASP9CASP6
SCHEMBL4250398 0.81 CASP3 (0.41) CASP3CASP7CASP8CASP9CASP6
SCHEMBL8213161 0.81 AURKA (0.35) FEN1AURKAAURKB
SCHEMBL13608161 0.80 ALDH1A1 (0.41) CASP3CASP7CASP8CASP9CASP6
SCHEMBL4252950 0.80 TAS2R8 (0.42) CASP3CASP7CASP8CASP9CASP6
SCHEMBL4254506 0.80 ALDH1A1 (0.41) 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-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
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

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 5/4885CASP7 7/4885CASP8 11/4885

“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.