SCHEMBL4256079

SCHEMBL4256079

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 13/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP7 P55210 4/20 0.40
CASP8 Q14790 4/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CASP1 P29466 3/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NPBWR1 P48145 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4250356 0.91 ITGA4 (0.40) CASP3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL4252907 0.89 CASP3 (0.43) CASP3CASP7CASP8CASP9CASP6
SCHEMBL4251515 0.89 CASP3 (0.43) CASP3ITGB1ITGA4ITGB7CASP7
SCHEMBL4249823 0.83 CASP3 (0.46) CASP3CASP7CASP8CASP9CASP6
SCHEMBL4258853 0.81 NPBWR1 (0.38) CASP3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL4259019 0.81 CASP3 (0.36) CASP3ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL4254361 0.80 ALDH1A1 (0.52) ITGB1ITGA4ITGB7ALDH1A1HTT
SCHEMBL13608163 0.78 PKM (0.41) CASP3ALDH1A1CASP7CASP8CASP9
SCHEMBL4257238 0.78 PKM (0.41) CASP3ALDH1A1CASP7CASP8CASP9
SCHEMBL4258250 0.76 CASP3 (0.38) CASP3ITGB1ITGA4ITGB7CASP7

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 7 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

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 5/4885ITGB1 3142/4885ITGA4 4349/4885

“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.