SCHEMBL3864258

SCHEMBL3864258

Cc1cc(COc2ccc(S(=O)(=O)N[C@H]3COC[C@H]3C(=O)NO)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 1.00

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
SCHEMBL8270885 1.00 ADAM17 (1.00) ADAM17
SCHEMBL8270882 0.93 ADAM17 (1.00) ADAM17
SCHEMBL3859878 0.93 ADAM17 (1.00) ADAM17
SCHEMBL3860774 0.92 ADAM17 (0.86) ADAM17
SCHEMBL3869338 0.91 ADAM17 (0.83) ADAM17
SCHEMBL3859576 0.87 ADAM17 (1.00) ADAM17
SCHEMBL3861035 0.87 ADAM17 (1.00) ADAM17
SCHEMBL3859797 0.87 ADAM17 (1.00) ADAM17
SCHEMBL3859743 0.87 ADAM17 (0.79) ADAM17
SCHEMBL3859799 0.87 ADAM17 (1.00) ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 US claimed
US-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 US disclosed