SCHEMBL4258250

SCHEMBL4258250

CCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)c1ccnn(Cc2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 12/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP8 Q14790 7/20 0.35
CASP1 P29466 7/20 0.35
CASP7 P55210 5/20 0.35
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
P2RX7 Q99572 1/20 0.33
ACE P12821 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
MAOA P21397 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL4250363 0.92 CTSL (0.37) CASP3MEN1KMT2A
SCHEMBL4253900 0.91 LMNA (0.36) MEN1KMT2A
SCHEMBL4255975 0.90 CTSB (0.37) CASP3CASP8CASP1CASP7CASP6
SCHEMBL4252752 0.90 NPBWR1 (0.33) CASP3CASP8CASP1CASP7MAOA
SCHEMBL4256524 0.90 CTSB (0.37) CASP3CASP8CASP1CASP7
SCHEMBL4253283 0.90 CACNA1B (0.38) CASP3MEN1KMT2ACASP8CASP1
SCHEMBL4251514 0.90 NPBWR1 (0.40) MEN1KMT2A
SCHEMBL4258853 0.89 NPBWR1 (0.38) CASP3MEN1KMT2ACASP8CASP1
SCHEMBL4253843 0.88 NPBWR1 (0.32) CASP3CASP8CASP1CASP7CASP9
SCHEMBL4249823 0.88 CASP3 (0.46) CASP3MEN1KMT2ACASP8CASP1

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 CASP3 5/4885MEN1 3820/4885KMT2A 3881/4885

“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.