SCHEMBL6243784

SCHEMBL6243784

CCCS(=O)(=O)NC1CCC=C1c1ccc(OCC#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ACACB O00763 1/20 0.32
CSNK1E P49674 1/20 0.32
POLB P06746 1/20 0.31
PGR P06401 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
PTGER4 P35408 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
SCHEMBL6241141 0.94 CYP11B1 (0.35) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL6242835 0.84 CYP11B1 (0.43) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL6243776 0.83 GRIA2 (0.36) ALDH1A1LMNAGAACSNK1EGPR119
SCHEMBL6239997 0.83 CYP11B1 (0.36) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL6242859 0.83 SLC6A9 (0.40) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL6237723 0.82 AR (0.47)
SCHEMBL6242490 0.81 ALDH1A1 (0.47) CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL6240545 0.79 ADAM17 (0.40) CYP11B1CYP11B2PGRPTGER4
SCHEMBL6242245 0.79 CYP11B1 (0.40) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL6243811 0.79 PSEN1 (0.45) CYP11B1CYP11B2PSEN1PSEN2APH1B

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 4 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
EP-1395550-A1 CYCLOALKENYLSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-03-10 EP disclosed
WO-2002098847-A1 CYCLOALKENYLSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040157817-A1 Cycloalkenylsulfonamide derivatives GRIN2B, GRIN2A, GRIN1 CYP11B1 444/4885CYP11B2 339/4885PSEN1 305/4885

“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.