SCHEMBL6239570

SCHEMBL6239570

CCCS(=O)(=O)NC1CCCC=C1c1ccc(OCc2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
MMP1 P03956 3/20 0.40
ADAM17 P78536 2/20 0.40
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
MAOB P27338 2/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
KMT2A Q03164 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 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
SCHEMBL6239568 0.86 ADAMTS4 (0.47) ADAMTS4MMP13MMP1ADAM17KCNH2
SCHEMBL6241141 0.83 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL6241981 0.81 CYP11B2 (0.46) KCNH2CYP11B1CYP11B2
SCHEMBL6246324 0.78 PSEN1 (0.43) MMP13MMP1KCNH2CYP11B1CYP11B2
SCHEMBL6237723 0.78 AR (0.47) ADAMTS4MMP13KMT2A
SCHEMBL6242093 0.78 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL6240738 0.78 ADAM17 (0.37) ADAMTS4MMP13MMP1ADAM17MAOB
SCHEMBL6241888 0.77 CYP1A2 (0.39) CYP11B1CYP11B2KMT2A
SCHEMBL6243784 0.77 CYP11B1 (0.36) CYP11B1CYP11B2PTGER4
SCHEMBL6237481 0.76 CYP11B1 (0.39) CYP11B1CYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395550-B1 CYCLOALKENYLSULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2005-06-29 EP claimed
US-20040157817-A1 Cycloalkenylsulfonamide derivatives CANTELL BUDDY EUGENE (US) 2004-08-12 US claimed
EP-1395550-A1 CYCLOALKENYLSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-03-10 EP claimed
WO-2002098847-A1 CYCLOALKENYLSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 WO claimed
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 3846/4885MMP13 4825/4885MMP1 4848/4885

“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.