SCHEMBL167565

SCHEMBL167565

COC(=O)c1cccnc1N(CC(F)F)S(=O)(=O)Cc1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
MAP2K1 Q02750 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
POLB P06746 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
BDKRB1 P46663 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL439402 0.89 MAPT (0.42) TDP1PKML3MBTL1SLC40A1MAPT
SCHEMBL164461 0.88 CASP3 (0.41) TDP1PKML3MBTL1MAPTALDH1A1
SCHEMBL272027 0.87 KEAP1 (0.35) L3MBTL1MAPTALDH1A1KEAP1NFE2L2
SCHEMBL165699 0.87 GRM4 (0.38) TDP1PKML3MBTL1SLC40A1NFE2L2
SCHEMBL145843 0.82 KEAP1 (0.35) L3MBTL1MAPTALDH1A1LMNAKEAP1
SCHEMBL272118 0.75 KEAP1 (0.35) L3MBTL1ALDH1A1LMNAKEAP1NFE2L2
SCHEMBL270665 0.74 BMP1 (0.38) TDP1ALDH1A1KEAP1NFE2L2KDM4E
SCHEMBL271627 0.73 MMP1 (0.39) TDP1POLB
SCHEMBL271853 0.73 ADAMTS4 (0.35) MAPTALDH1A1KEAP1NFE2L2KDM4E
SCHEMBL164521 0.73 ALDH1A1 (0.42) TDP1PKML3MBTL1SLC40A1MAP2K1

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-2611815-A1 HERBICIDE-EFFECTIVE PYRIDYL KETOSULTAMS Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
US-20120065065-A1 HERBICIDALLY ACTIVE PYRIDYLKETOSULTAMS BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
WO-2012028580-A1 HERBICIDE-EFFECTIVE PYRIDYL KETOSULTAMS BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120065065-A1 HERBICIDALLY ACTIVE PYRIDYLKETOSULTAMS PDXK, CBR3, CBR1 TDP1 2124/4885PKM 4/4885L3MBTL1 1030/4885

“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.