SCHEMBL6239997

SCHEMBL6239997

CCCS(=O)(=O)NC1CCC=C1c1ccc(OCCN)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
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
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6242093 0.94 CYP11B1 (0.35) CYP11B1CYP11B2ITGB3ITGA2BPSEN1
SCHEMBL6242859 0.88 SLC6A9 (0.40) CYP11B1CYP11B2ITGB3ITGA2BPSEN1
SCHEMBL6242490 0.86 ALDH1A1 (0.47) CYP11B1CYP11B2CYP1A2CYP2D6CYP2C19
SCHEMBL6239993 0.83 MMP2 (0.34) ITGB3ITGA2BALDH1A1LMNAGAA
SCHEMBL6241888 0.82 CYP1A2 (0.39) CYP11B1CYP11B2ITGB3ITGA2BTSHR
SCHEMBL6242557 0.80 ALDH1A1 (0.43) CYP11B1CYP11B2CYP1A2CYP2D6CYP2C19
SCHEMBL6243811 0.80 PSEN1 (0.45) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL6242245 0.80 CYP11B1 (0.40) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL6241430 0.80 CYP11B1 (0.40) CYP11B1CYP11B2PSEN1PSEN2APH1B
SCHEMBL6239214 0.78 CYP11B1 (0.40) 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 339/4885ITGB3 4091/4885

“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.