SCHEMBL115026

SCHEMBL115026

Cc1ccccc1-c1c(O)c2sccc2n(CC(F)(F)F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
METAP2 P50579 1/20 0.41
FEN1 P39748 14/20 0.40
ERCC5 P28715 4/20 0.40
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL115267 0.85 KMT2A (0.50) GAAFEN1ERCC5KCNH2KMT2A
SCHEMBL116013 0.84 GAA (0.42) GAAFEN1ERCC5KCNH2KMT2A
SCHEMBL116024 0.81 METAP2 (0.39) METAP2FEN1ERCC5
SCHEMBL114983 0.81 GAA (0.42) GAAFEN1ERCC5KCNH2KMT2A
SCHEMBL115090 0.80 EGLN1 (0.45) GAAFEN1ERCC5KCNH2KMT2A
SCHEMBL115974 0.80 METAP2 (0.42) METAP2
SCHEMBL115108 0.76 METAP2 (0.43) METAP2
SCHEMBL115132 0.75 METAP2 (0.45) METAP2
SCHEMBL115100 0.75 METAP2 (0.40) METAP2
SCHEMBL114953 0.74 METAP2 (0.38) METAP2KMT2A

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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 GAA 517/4885METAP2 2747/4885FEN1 3630/4885

“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.