SCHEMBL6829642

SCHEMBL6829642

Cn1[nH]c(=O)n(-c2cc(NS(C)(=O)=O)c(C#N)cc2F)c1=S

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.34
PGR P06401 2/20 0.34
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
BCAT2 O15382 4/20 0.31
BCAT1 P54687 4/20 0.31
SLC22A12 Q96S37 1/20 0.30
PLA2G7 Q13093 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
SCHEMBL7627173 0.75 PGR (0.35) BRD4PGRNR3C1NR3C2AR
SCHEMBL8318049 0.74 BCAT1 (0.56) BCAT2BCAT1
SCHEMBL8600186 0.74 BCAT2 (0.39) PGRNR3C1NR3C2ARBCAT2
SCHEMBL8853738 0.73 BCAT2 (0.33) BRD4PGRBCAT2BCAT1
SCHEMBL8175336 0.73 GRM1 (0.42) BRD4PGRNR3C1NR3C2AR
SCHEMBL6574292 0.72 PGR (0.39) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL8323113 0.72 PGR (0.35) PGRNR3C1NR3C2ARBCAT2
SCHEMBL6307772 0.72 PPOX (0.33) PGRNR3C1NR3C2AR
SCHEMBL8523910 0.71 PPOX (0.42) BRD4
SCHEMBL7650299 0.70 GRM7 (0.42)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743755-B2 HERBICIDAL COMPOSITION WHICH HAS A CONTENT OF AT LEAST ONE N-ARYL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OF THE GENERAL METHOD OF COMBATING UNDESIRABLE PLANTS WHICH COMPRISES ALLOWING AN N-ARYL NITROGEN-CONTAINING HETEROCYCLIC BAYER AKTIENGESELLSCHAFT (DE) 2004-06-01 US disclosed
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-07-31 US disclosed
US-6426318-B1 KILLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-30 US disclosed
EP-1120411-A2 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER AG (DE) 2001-08-01 EP disclosed
US-6162765-A Substituted N-aryl nitrogen-containing heterocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2000-12-19 US disclosed
EP-0797573-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AG (DE) 1997-10-01 EP disclosed
WO-1996018618-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 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-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 BRD4 1457/4885PGR 2552/4885NR3C1 364/4885

“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.