SCHEMBL4253389

SCHEMBL4253389

CCC(C(=O)NC(CC(=O)O)C(=O)CF)c1c(C)cnn(-c2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 13/20 0.42
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
ALDH1A1 P00352 3/20 0.36
FPR1 P21462 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL4257234 0.89 ALDH1A1 (0.35) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4252907 0.85 CASP3 (0.43) CASP3CASP7CASP9CASP6CASP8
SCHEMBL3175412 0.83 CASP3 (0.43) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4257847 0.78 ALDH1A1 (0.44) ALDH1A1FPR1CYP2C9HPGD
SCHEMBL3166336 0.77 CASP3 (0.45) CASP3CASP7CASP9CASP6CASP8
SCHEMBL27788593 0.77 CASP3 (0.42) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4252487 0.76 ALDH1A1 (0.46) ALDH1A1HPGD
SCHEMBL3182695 0.76 CASP3 (0.43) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4251515 0.76 CASP3 (0.43) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4259019 0.76 CASP3 (0.36) CASP3CASP7CASP8ALDH1A1

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 5/4885CASP7 7/4885CASP9 10/4885

“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.