SCHEMBL4572165

SCHEMBL4572165

C[C@@H](Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.54
BCAT2 O15382 17/20 0.54
PPOX P50336 1/20 0.42

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
SCHEMBL17589663 0.90 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL1573699 0.89 BCAT1 (0.50) BCAT1BCAT2PPOX
SCHEMBL10575514 0.88 PPOX (0.57) BCAT1BCAT2PPOX
SCHEMBL10530843 0.88 BCAT1 (0.60) BCAT1BCAT2PPOX
SCHEMBL10576815 0.82 BCAT1 (0.78) BCAT1BCAT2PPOX
SCHEMBL10533725 0.80 BCAT1 (0.49) BCAT1BCAT2PPOX
SCHEMBL10572184 0.80 BCAT1 (0.60) BCAT1BCAT2PPOX
SCHEMBL4572159 0.80 PPOX (0.40) PPOX
SCHEMBL6234932 0.80 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL7719036 0.80 PPOX (0.40) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2453018-B1 A herbicide metabolizing protein, a gene thereof and use thereof SUMITOMO CHEMICAL CO (JP) 2016-03-16 EP disclosed
US-8293979-B2 Weed controller metabolism proteins, genes, thereof and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8293979-B2 Weed controller metabolism proteins, genes, thereof and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
EP-2453018-A1 A herbicide metabolizing protein, a gene thereof and use thereof Sumitomo Chemical Company, Limited (JP) 2012-05-16 EP disclosed
EP-1457558-B1 WEED CONTROLLER METABOLISM PROTEINS, GENES THEREOF AND USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-12-07 EP disclosed
US-20100313300-A1 WEED CONTROLLER METABOLISM PROTEINS, GENES, THEREOF AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-09 US disclosed
US-20100313300-A1 WEED CONTROLLER METABOLISM PROTEINS, GENES, THEREOF AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2010-12-09 US disclosed
US-7745699-B2 Weed controller metabolism proteins, genes thereof and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-29 US disclosed
US-7745699-B2 Weed controller metabolism proteins, genes thereof and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-29 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-20100313300-A1 WEED CONTROLLER METABOLISM PROTEINS, GENES, THEREOF AND USE OF THE SAME HADHB, WEE1, AS3MT BCAT1 166/4885BCAT2 337/4885PPOX 583/4885

“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.