SCHEMBL3862640

SCHEMBL3862640

Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCN(C(=O)NC(C)(C)C)C[C@@H]3C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.88

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
SCHEMBL3859836 1.00 ADAM17 (0.88) ADAM17
SCHEMBL8270892 0.94 ADAM17 (1.00) ADAM17
SCHEMBL3860237 0.90 ADAM17 (0.87) ADAM17
SCHEMBL3864322 0.90 ADAM17 (0.88) ADAM17
SCHEMBL8270898 0.89 ADAM17 (1.00) ADAM17
SCHEMBL3866318 0.85 ADAM17 (0.87) ADAM17
SCHEMBL3864303 0.84 ADAM17 (0.86) ADAM17
SCHEMBL3864300 0.84 ADAM17 (0.86) ADAM17
SCHEMBL3864294 0.84 ADAM17 (0.86) ADAM17
SCHEMBL3869314 0.84 ADAM17 (0.90) 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 1 patent. 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 disclosed