SCHEMBL270669

SCHEMBL270669

COC(=O)c1nccnc1N(CC(F)F)S(=O)(=O)Cc1cc(I)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SCD O00767 1/20 0.32
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL272156 0.93 SCD (0.30) TSHRALDH1A1SCDKEAP1NFE2L2
SCHEMBL270926 0.89 ALDH1A1 (0.39) TSHRALDH1A1SCDCYP1A2CYP2C19
SCHEMBL271755 0.87 MAPT (0.41) ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL271720 0.85 SCD (0.35) ALDH1A1SCDKEAP1NFE2L2
SCHEMBL271710 0.85 ALPL (0.33) ALDH1A1
SCHEMBL271937 0.84 POLB (0.37) ALDH1A1SCDKEAP1NFE2L2CYP1A2
SCHEMBL271422 0.83 TSHR (0.32) TSHRALDH1A1SCDKEAP1NFE2L2
SCHEMBL272027 0.83 KEAP1 (0.35) ALDH1A1SCDKEAP1NFE2L2
SCHEMBL271319 0.80 POLB (0.35) TSHRALDH1A1SCDKEAP1NFE2L2
SCHEMBL272015 0.80 MRGPRX4 (0.36)

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 5 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
EP-2220056-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-08-25 EP disclosed
WO-2009063180-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-05-22 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-20100323889-A1 HERBICIDAL COMPOUNDS CBR3, DDT, CBR1 TSHR 1296/4885ALDH1A1 127/4885SCD 3715/4885

“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.