SCHEMBL4259019

SCHEMBL4259019

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.36
TP53 P04637 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CASP8 Q14790 1/20 0.34
PFKFB3 Q16875 1/20 0.33
PLA2G2A P14555 1/20 0.33
P2RX7 Q99572 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
SCHEMBL4258853 0.92 NPBWR1 (0.38) CASP3TP53KDM4EALDH1A1NPSR1
SCHEMBL4250356 0.90 ITGA4 (0.40) CASP3TP53ALDH1A1NPC1LMNA
SCHEMBL4252907 0.90 CASP3 (0.43) CASP3TP53KDM4ETSHRMEN1
SCHEMBL4257234 0.88 ALDH1A1 (0.35) CASP3TP53KDM4EALDH1A1NPSR1
SCHEMBL4258250 0.87 CASP3 (0.38) CASP3MEN1KMT2ACASP1CASP7
SCHEMBL4250961 0.86 TP53 (0.34) TP53KDM4EALDH1A1NPSR1NPC1
SCHEMBL3177183 0.86 CRHBP (0.37) CASP3CASP7CASP8PLA2G2AP2RX7
SCHEMBL3187426 0.81 L3MBTL1 (0.40) CASP3CASP1CASP7CASP8
SCHEMBL4251515 0.81 CASP3 (0.43) CASP3TP53MEN1KMT2ACASP1
SCHEMBL4256079 0.81 CASP3 (0.44) CASP3TP53ALDH1A1CASP1CASP7

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 5/4885TP53 315/4885KDM4E 1607/4885

“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.