SCHEMBL4249573

SCHEMBL4249573

CCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)c1ccnn(Cc2cccc3ccccc23)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 15/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
ACHE P22303 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4253900 0.90 LMNA (0.36) MAPT
SCHEMBL4257495 0.89 CASP1 (0.31)
SCHEMBL4253843 0.89 NPBWR1 (0.32) NPBWR1
SCHEMBL4254707 0.89 MME (0.41) NPBWR1MMEACECPA1ACE2
SCHEMBL13608164 0.89 MME (0.41) NPBWR1MMEACECPA1ACE2
SCHEMBL4255978 0.88 NPBWR1 (0.38) NPBWR1
SCHEMBL4258250 0.87 CASP3 (0.38) ACE
SCHEMBL4255975 0.86 CTSB (0.37) NPBWR1CTSSCTSKMMEACE
SCHEMBL4252752 0.83 NPBWR1 (0.33) NPBWR1
SCHEMBL4256524 0.83 CTSB (0.37) CTSSCTSKMAPT

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 4 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-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 NPBWR1 4356/4885CTSS 99/4885CTSK 77/4885

“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.