SCHEMBL6236867

SCHEMBL6236867

CCCS(=O)(=O)NC1CCC=C1c1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.40
MCHR1 Q99705 4/20 0.37
NR3C2 P08235 1/20 0.37
PGR P06401 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
CCR6 P51684 1/20 0.37
ACLY P53396 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PAX8 Q06710 1/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
KAT6A Q92794 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CTSC P53634 1/20 0.35

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
SCHEMBL6242835 0.89 CYP11B1 (0.43) PGRHRH3MMP13CYP11B1CYP11B2
SCHEMBL6243811 0.84 PSEN1 (0.45) MMP13CYP11B1CYP11B2
SCHEMBL6245811 0.84 CA12 (0.39) CYP11B1CYP11B2MAOA
SCHEMBL6236864 0.83 ADAMTS4 (0.46) ADAMTS4PGRMCOLN3CCR6ACLY
SCHEMBL6241981 0.83 CYP11B2 (0.46) PGRHRH3CYP11B1CYP11B2
SCHEMBL6239376 0.81 KIF11 (0.47) KDM1A
SCHEMBL6246776 0.80 GRIA2 (0.44) ADAMTS4CYP11B1CYP11B2
SCHEMBL6243784 0.79 CYP11B1 (0.36) PGRCYP11B1CYP11B2
SCHEMBL6239214 0.78 CYP11B1 (0.40) NR3C2PGRCYP11B1CYP11B2
SCHEMBL6244084 0.78 CA12 (0.38) CYP11B1CYP11B2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395550-B1 CYCLOALKENYLSULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2005-06-29 EP disclosed
US-20040157817-A1 Cycloalkenylsulfonamide derivatives CANTELL BUDDY EUGENE (US) 2004-08-12 US 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-20040157817-A1 Cycloalkenylsulfonamide derivatives GRIN2B, GRIN2A, GRIN1 ADAMTS4 3846/4885MCHR1 704/4885NR3C2 171/4885

“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.