SCHEMBL4258922

SCHEMBL4258922

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAS2R8 Q9NYW2 13/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4252953 0.89 TSHR (0.41) TSHRTAS2R8
SCHEMBL4252758 0.81 MAOA (0.33)
SCHEMBL4258919 0.76 TAS2R8 (0.37) TSHRKMT2AMEN1GAAL3MBTL1
SCHEMBL4250409 0.72 CRHBP (0.38) GAAALDH1A1
SCHEMBL4254527 0.72 PRSS1 (0.34) KMT2AMEN1L3MBTL1
SCHEMBL4259805 0.70 TSHR (0.46) TSHRKMT2AMEN1GAAL3MBTL1
SCHEMBL4257247 0.69 PKM (0.42) GAAALDH1A1
SCHEMBL4257939 0.67 TSHR (0.40) TSHRTAS2R8
SCHEMBL4443541 0.66 TSHR (0.45) TSHRTAS2R8ALDH1A1
SCHEMBL4257943 0.61 TSHR (0.41) TSHRTAS2R8

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 TSHR 4747/4885KMT2A 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.