SCHEMBL271853

SCHEMBL271853

COC(=O)c1nccnc1N(CC(F)F)S(=O)(=O)Cc1ccccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TAS2R14 Q9NYV8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.33
KCNA5 P22460 1/20 0.33
NAMPT P43490 1/20 0.32
KMT2A Q03164 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
MAOB P27338 1/20 0.32
MMP1 P03956 2/20 0.31
ADAM17 P78536 1/20 0.31

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 0.85 KEAP1 (0.35) MMP13ALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL272027 0.85 KEAP1 (0.35) ALDH1A1KDM4EKEAP1NFE2L2MAPT
SCHEMBL270665 0.84 BMP1 (0.38) ADAMTS4MMP13ALDH1A1KDM4EKEAP1
SCHEMBL271627 0.83 MMP1 (0.39) MMP13SMN1; SMN2MMP1
SCHEMBL272058 0.82 TRPM8 (0.37) KEAP1NFE2L2
SCHEMBL271720 0.82 SCD (0.35) ALDH1A1KDM4EHPGDKEAP1NFE2L2
SCHEMBL271426 0.81 FFAR4 (0.36) KEAP1NFE2L2
SCHEMBL272014 0.79 NR1H2 (0.40)
SCHEMBL271937 0.79 POLB (0.37) ALDH1A1KEAP1NFE2L2SMN1; SMN2KMT2A
SCHEMBL271663 0.79 KEAP1 (0.34) MMP13KEAP1NFE2L2MMP1ADAM17

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 ADAMTS4 4496/4885MMP13 4302/4885ALDH1A1 127/4885

“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.