SCHEMBL6743751

SCHEMBL6743751

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(O)c(C#N)cc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 8/20 0.38
BCAT1 P54687 8/20 0.38
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
AR P10275 1/20 0.30

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
SCHEMBL8193759 0.89 BCAT2 (0.40) BCAT2BCAT1AR
SCHEMBL5848585 0.87 BCAT1 (0.43) BCAT2BCAT1
SCHEMBL3901986 0.86 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL7166377 0.84 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL7656343 0.84 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL6703569 0.84 BCAT1 (0.46) BCAT2BCAT1AR
SCHEMBL7951139 0.83 BCAT2 (0.40) BCAT2BCAT1AR
SCHEMBL5847499 0.83 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL9469470 0.82 BCAT2 (0.39) BCAT2BCAT1AR
SCHEMBL7037750 0.82 MAPT (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023805-A1 Substituted phenyluracils ANDREE ROLAND (DE) 2004-02-05 US disclosed
US-6649760-B2 Herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
US-20020173425-A1 Substituted phenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2002-11-21 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 (2 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-20020173425-A1 Substituted phenyluracils DPYD, POP1, G6PD BCAT2 505/4885BCAT1 655/4885XDH 659/4885
US-20040023805-A1 Substituted phenyluracils DPYD, POP1, G6PD BCAT2 505/4885BCAT1 655/4885XDH 659/4885

“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.