SCHEMBL4252950

SCHEMBL4252950

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 14/20 0.42
TSHR P16473 1/20 0.39
CASP3 P42574 5/20 0.36
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 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
SCHEMBL4258919 0.88 TAS2R8 (0.37) TAS2R8TSHR
SCHEMBL4249823 0.83 CASP3 (0.46) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4254506 0.82 ALDH1A1 (0.41) CASP3CASP7CASP9CASP6CASP8
SCHEMBL13608161 0.82 ALDH1A1 (0.41) CASP3CASP7CASP9CASP6CASP8
SCHEMBL13608160 0.82 CASP3 (0.41) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4250398 0.82 CASP3 (0.41) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4250483 0.81 CASP3 (0.36) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4254234 0.80 CASP3 (0.41) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4253012 0.80 CASP3 (0.35) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4254526 0.78 CASP3 (0.39) CASP3CASP7CASP9CASP6CASP8

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 TAS2R8 2870/4885TSHR 4747/4885CASP3 5/4885

“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.