SCHEMBL4258919

SCHEMBL4258919

CCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)c1ccnn(Cc2c(C)noc2C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 17/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 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
SCHEMBL4252950 0.88 TAS2R8 (0.42) TAS2R8TSHR
SCHEMBL4258250 0.84 CASP3 (0.38) KMT2AMEN1
SCHEMBL4253175 0.82
SCHEMBL4253900 0.82 LMNA (0.36) KMT2AMEN1GAATSHR
SCHEMBL4254759 0.82 BACE1 (0.32)
SCHEMBL4253843 0.82 NPBWR1 (0.32)
SCHEMBL4255978 0.81 NPBWR1 (0.38)
SCHEMBL4252752 0.80 NPBWR1 (0.33)
SCHEMBL4255975 0.80 CTSB (0.37) GAA
SCHEMBL4256524 0.80 CTSB (0.37)

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 TAS2R8 2870/4885KMT2A 3881/4885MEN1 3820/4885

“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.