SCHEMBL28019708

SCHEMBL28019708

COc1ccc(S(=O)(=O)N2CCCC2C(N)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.66
MMP3 P08254 5/20 0.66
MMP7 P09237 4/20 0.66
MMP13 P45452 3/20 0.66
HCRTR1 O43613 11/20 0.65
HCRTR2 O43614 11/20 0.65
CYP3A4 P08684 2/20 0.63
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HTT P42858 1/20 0.61
MAPK1 P28482 1/20 0.61
MMP9 P14780 2/20 0.60
CYP2C19 P33261 1/20 0.58

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
SCHEMBL2705860 0.88 MMP1 (0.67) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL2705855 0.88 MMP1 (0.67) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL2706480 0.88 MMP1 (0.67) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL31630271 0.87 HCRTR1 (0.51) MMP1MMP3MMP7MMP13HCRTR1
Lithium Ion SCHEMBL31629960 0.86 MMP1 (0.66) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL7992848 0.86 MMP1 (0.70) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL10433913 0.85 GAA (0.63) HCRTR1HCRTR2ALDH1A1GAATSHR
SCHEMBL7429247 0.85 GAA (0.63) HCRTR1HCRTR2ALDH1A1GAATSHR
SCHEMBL24979958 0.84 MMP1 (0.63) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL7349862 0.84 MMP1 (0.91) MMP1MMP3MMP7MMP13HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025124698-A1 ARYL SULFONE AND SULFANONE DERIVATIVES AS OREXIN RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-19 WO claimed
WO-2025124698-A1 ARYL SULFONE AND SULFANONE DERIVATIVES AS OREXIN RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-19 WO disclosed
CN-103079563-B Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-07-08 CN disclosed