SCHEMBL6417181

SCHEMBL6417181

Nc1nc(Cl)cc(C(F)(F)F)c1C(=O)N=S

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SLC9A1 P19634 1/20 0.31
CFTR P13569 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
SCHEMBL6417178 0.85 JUN (0.32) JUNNFKB1NFKB2RELASLC9A1
SCHEMBL6357967 0.85 JUN (0.33) JUNNFKB1NFKB2RELA
SCHEMBL565623 0.70 POLB (0.46) JUNNFKB1NFKB2RELA
SCHEMBL6357961 0.70 JUN (0.33) JUNNFKB1NFKB2RELA
SCHEMBL2090729 0.68 ALDH1A1 (0.49) JUNNFKB1NFKB2RELA
SCHEMBL832709 0.68 ALDH1A1 (0.37) JUNNFKB1NFKB2RELA
SCHEMBL31337111 0.66 CA1 (0.35) JUNNFKB1NFKB2RELA
SCHEMBL474007 0.66 ALDH1A1 (0.46)
SCHEMBL29021390 0.66 CA1 (0.35) JUNNFKB1NFKB2RELA
SCHEMBL26684635 0.66 JUN (0.38) JUNNFKB1NFKB2RELACFTR

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
US-20050176734-A1 Method for producing 4-haloalkyl nicotinic acid amides BAYER CROPSCIENCE AG (DE) 2005-08-11 US disclosed
US-20040167334-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides SHERMOLOVICH YURIY GRIGORIEVIC (UA) 2004-08-26 US disclosed
EP-1274683-A2 HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2003-01-15 EP disclosed
US-20020032328-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2002-03-14 US disclosed
WO-2001070692-A2 HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2001-09-27 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 (3 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-20050176734-A1 Method for producing 4-haloalkyl nicotinic acid amides CBR3, CBR1, HCAR3 JUN 2255/4885NFKB1 3506/4885NFKB2 3410/4885
US-20020032328-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides DDT, PTMS, TMT1A JUN 4830/4885NFKB1 4262/4885NFKB2 4533/4885
US-20040167334-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides DDT, PTMS, TMT1A JUN 4830/4885NFKB1 4262/4885NFKB2 4533/4885

“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.