SCHEMBL271663

SCHEMBL271663

COC(=O)c1nccnc1N(CC(F)F)S(=O)(=O)Cc1c(Br)cccc1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 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
SCHEMBL272118 0.89 KEAP1 (0.35) KEAP1NFE2L2L3MBTL1MMP9MMP13
SCHEMBL271937 0.88 POLB (0.37) KEAP1NFE2L2L3MBTL1
SCHEMBL271470 0.86 NFE2L2 (0.33) KEAP1NFE2L2L3MBTL1HDAC6MMP1
SCHEMBL271924 0.85 POLB (0.32) KEAP1NFE2L2
SCHEMBL271422 0.83 TSHR (0.32) KEAP1NFE2L2
SCHEMBL271791 0.83 P2RX7 (0.35) KEAP1NFE2L2MMP1MMP9MMP13
SCHEMBL271591 0.82 RORC (0.37) KEAP1NFE2L2
SCHEMBL271720 0.81 SCD (0.35) KEAP1NFE2L2HDAC6
SCHEMBL272027 0.81 KEAP1 (0.35) KEAP1NFE2L2L3MBTL1
SCHEMBL271319 0.81 POLB (0.35) KEAP1NFE2L2

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
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP disclosed
US-8133849-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2012-03-13 US disclosed
US-20100323889-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-23 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-20100323889-A1 HERBICIDAL COMPOUNDS CBR3, DDT, CBR1 KEAP1 34/4885NFE2L2 715/4885L3MBTL1 2902/4885

“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.