SCHEMBL6697539

SCHEMBL6697539

COc1cccc2c(Oc3cc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)c(F)cc3C#N)cccc12

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.51
BCAT2 O15382 12/20 0.51

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
SCHEMBL6703569 0.87 BCAT1 (0.46) BCAT1BCAT2
SCHEMBL6248581 0.86 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL6242603 0.85 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL29005677 0.83 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL6244770 0.82 BCAT1 (0.53) BCAT1BCAT2
SCHEMBL29005679 0.81 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL27044949 0.81 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL6263807 0.81 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL27044955 0.80 BCAT1 (0.49) BCAT1BCAT2
SCHEMBL27047469 0.80 BCAT1 (0.49) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029735-A1 Substituted herbicidal phenyluracils ANDREE ROLAND (DE) 2004-02-12 US disclosed
US-6624120-B1 Such as 1-(4-cyano-2-fluoro-5-(6-methoxy-naphthalen-2-yl-oxy)-phenyl)-2,6-dioxo -1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 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-20040029735-A1 Substituted herbicidal phenyluracils DDT, MTX1, MTX2 BCAT1 1320/4885BCAT2 929/4885

“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.