SCHEMBL125573

SCHEMBL125573

CC(C)c1nc2nc(C(F)(F)F)c(C(=O)O)cc2cc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
PPARA Q07869 1/20 0.33
EIF4A3 P38919 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
XPO1 O14980 2/20 0.32
ATF1 P18846 4/20 0.32
NFKB1 P19838 4/20 0.32
NOTUM Q6P988 1/20 0.31
ASPH Q12797 1/20 0.31
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 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
SCHEMBL174978 0.83 KDM4E (0.47) NR1H2NR1H3ATF1NFKB1
SCHEMBL126379 0.82 GFER (0.38) GFERKEAP1NFE2L2NR1H2NR1H3
SCHEMBL126280 0.82 GFER (0.43) GFERKEAP1NFE2L2NOTUMASPH
SCHEMBL125200 0.81 GFER (0.36) GFERKEAP1NFE2L2NR1H2NR1H3
SCHEMBL28008303 0.80 GFER (0.36) GFERKEAP1NFE2L2NFKB1NOTUM
SCHEMBL123860 0.78 PTPN1 (0.37) GFERKEAP1NFE2L2XPO1ATF1
SCHEMBL124476 0.78 GFER (0.36) GFERKEAP1NFE2L2ATF1NFKB1
SCHEMBL122661 0.78 GABRP (0.36) GFERKEAP1NFE2L2NFKB1NOTUM
SCHEMBL124482 0.77 GFER (0.32) GFERATF1NFKB1
SCHEMBL3433966 0.77 GFER (0.34) GFERKEAP1NFE2L2NFKB1ASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 CN disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 WO 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT GFER 986/4885PPARA 3409/4885EIF4A3 2763/4885

“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.