SCHEMBL272019

SCHEMBL272019

COC(=O)c1nccnc1NS(=O)(=O)Cc1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
SLC22A12 Q96S37 2/20 0.36
DHODH Q02127 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NFE2L2 Q16236 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CCR4 P51679 1/20 0.35
GAA P10253 1/20 0.34
CFTR P13569 1/20 0.34
ACLY P53396 1/20 0.34
NR1H2 P55055 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL271236 0.93 P2RX7 (0.40) PTGDR2MRGPRX4SLC22A12GAAACLY
SCHEMBL272250 0.92 RORC (0.41) PTGDR2MRGPRX4KMT2ACCR4GAA
SCHEMBL271411 0.87 GRM4 (0.43) PTGDR2SLC22A12HDAC6KMT2AGAA
SCHEMBL269850 0.86 NOTUM (0.39) PTGDR2MRGPRX4L3MBTL1CCR4
SCHEMBL271510 0.86 P2RX7 (0.41) MRGPRX4CCR4NR1H2
SCHEMBL271872 0.83 SCD (0.42) L3MBTL1KMT2ACCR4GAA
SCHEMBL271264 0.83 L3MBTL1 (0.37) L3MBTL1KMT2AMEN1GAAACLY
SCHEMBL271302 0.82 MAOB (0.45) MRGPRX4L3MBTL1KMT2AMEN1GAA
SCHEMBL271821 0.82 NOTUM (0.39) PTGDR2MRGPRX4L3MBTL1GAAMAPT
SCHEMBL270825 0.80 POLQ (0.41) PTGDR2KMT2AMEN1CFTRACLY

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 PTGDR2 2356/4885MRGPRX4 1864/4885SLC22A12 2545/4885

“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.