SCHEMBL4257943

SCHEMBL4257943

CCC(C(=O)C(CC(=O)O)C(=O)C(N)F)c1ccnn(Cc2c(C)noc2C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TAS2R8 Q9NYW2 18/20 0.40
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL4257939 0.79 TSHR (0.40) TSHRTAS2R8GRIN1GRIN2B
SCHEMBL4259805 0.77 TSHR (0.46) TSHRTAS2R8
SCHEMBL4252950 0.77 TAS2R8 (0.42) TSHRTAS2R8
SCHEMBL4443541 0.73 TSHR (0.45) TSHRTAS2R8GRIN1GRIN2B
SCHEMBL4258919 0.68 TAS2R8 (0.37) TSHRTAS2R8
SCHEMBL4252953 0.66 TSHR (0.41) TSHRTAS2R8
SCHEMBL4257924 0.61 HTT (0.41)
SCHEMBL4451137 0.61 PKM (0.41)
SCHEMBL4251545 0.61 NPBWR1 (0.35) TSHR
SCHEMBL4256751 0.60 ALDH1A1 (0.47)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US 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 4747/4885TAS2R8 2870/4885GRIN1 4511/4885

“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.