SCHEMBL6696834

SCHEMBL6696834

CC(Oc1ccc2cc(Oc3cc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)c(F)cc3C#N)ccc2c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 15/20 0.47
BCAT1 P54687 15/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.34
AR P10275 2/20 0.33
SLC22A12 Q96S37 2/20 0.33

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
SCHEMBL6696829 1.00 BCAT2 (0.47) BCAT2BCAT1PTGDR2ARSLC22A12
SCHEMBL7559626 0.90 BCAT2 (0.46) BCAT2BCAT1AR
SCHEMBL6692467 0.89 BCAT2 (0.41) BCAT2BCAT1AR
SCHEMBL27047469 0.88 BCAT1 (0.49) BCAT2BCAT1PTGDR2
SCHEMBL6694619 0.87 BCAT2 (0.48) BCAT2BCAT1AR
SCHEMBL6690895 0.86 BCAT2 (0.47) BCAT2BCAT1AR
SCHEMBL7227999 0.85 BCAT1 (0.47) BCAT2BCAT1AR
SCHEMBL6242603 0.82 BCAT1 (0.54) BCAT2BCAT1ARSLC22A12
SCHEMBL6244770 0.81 BCAT1 (0.53) BCAT2BCAT1AR
SCHEMBL27044955 0.81 BCAT1 (0.49) BCAT2BCAT1

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-20040029735-A1 Substituted herbicidal phenyluracils ANDREE ROLAND (DE) 2004-02-12 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 BCAT2 929/4885BCAT1 1320/4885PTGDR2 2654/4885

“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.