SCHEMBL7421563

SCHEMBL7421563

COc1ccc(S(=O)(=O)N(CC(=O)OCc2ccccc2)[C@H]2CC[C@](C)(OC)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 11/20 0.48
▸ NFE2L2 Q16236 10/20 0.48
▸ KCNA5 P22460 1/20 0.47
▸ MMP9 P14780 3/20 0.45
▸ MMP1 P03956 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ CXCR3 P49682 2/20 0.41
▸ PTGES O14684 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ TAS2R8 Q9NYW2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL7419400 0.91 KCNA5 (0.48) KEAP1NFE2L2KCNA5MMP9MMP1
SCHEMBL8015046 0.87 KCNA5 (0.56) KEAP1NFE2L2KCNA5MMP9MMP1
SCHEMBL7351711 0.86 KCNA5 (0.53) KEAP1NFE2L2KCNA5MMP9MMP1
SCHEMBL7423956 0.85 KCNA5 (0.49) KEAP1NFE2L2KCNA5MMP9MMP1
SCHEMBL7422208 0.82 KCNA5 (0.46) KEAP1NFE2L2KCNA5MMP9MMP1
SCHEMBL7423616 0.82 KCNA5 (0.46) KEAP1NFE2L2KCNA5MMP9MMP1
SCHEMBL7350978 0.76 KCNA5 (0.54) KEAP1NFE2L2KCNA5MMP9MMP1
SCHEMBL7342866 0.71 CNR1 (0.60) KEAP1NFE2L2KCNA5CNR1CNR2
SCHEMBL7355017 0.71 KEAP1 (0.48) KEAP1NFE2L2KCNA5MMP9MMP1
SCHEMBL7359705 0.70 KEAP1 (0.56) KEAP1NFE2L2KCNA5MMP9MMP1

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-0873312-B1 ALPHA-SUBSTITUTED ARYLSULPHONAMIDO HYDROXAMIC ACIDS AS TNF-ALPHA AND MATRIX METALLOPROTEINASE INHIBITORS NOVARTIS AG (CH) 2002-06-12 — — EP disclosed
EP-0873312-A1 ALPHA-SUBSTITUTED ARYLSULPHONAMIDO HYDROXAMIC ACIDS AS TNF-ALPHA AND MATRIX METALLOPROTEINASE INHIBITORS Novartis AG (CH) 1998-10-28 — — EP disclosed
US-5770624-A INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA AND MATRIX DEGRADING METALLOPROTEINEASE ACTIVITY NOVARTIS CORP. (US) 1998-06-23 — — US disclosed
WO-1997022587-A1 ALPHA-SUBSTITUTED ARYLSULPHONAMIDO HYDROXAMIC ACIDS AS TNF-ALPHA AND MATRIX METALLOPROTEINASE INHIBITORS NOVARTIS AG (CH) 1997-06-26 — — WO disclosed
Send feedback