SCHEMBL6203455

SCHEMBL6203455

Cc1cc(COC2CCN(S(=O)(=O)C[C@@]3(C)NC(=O)NC3=O)CC2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.56
MMP14 P50281 8/20 0.56
MMP12 P39900 5/20 0.52
ADAM17 P78536 1/20 0.52

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
SCHEMBL5935746 1.00 MMP13 (0.56) MMP13MMP14MMP12ADAM17
SCHEMBL5935714 0.92 ADAM17 (0.51) MMP13MMP14MMP12ADAM17
SCHEMBL5935633 0.88 MMP13 (0.51) MMP13MMP14MMP12ADAM17
SCHEMBL5935622 0.88 ADAM17 (0.46) MMP13MMP14ADAM17
SCHEMBL5935655 0.83 ADAM17 (0.45) MMP13MMP12ADAM17
SCHEMBL5935705 0.83 MMP13 (0.52) MMP13MMP14MMP12ADAM17
SCHEMBL5935630 0.81 MMP13 (0.49) MMP13MMP14MMP12
SCHEMBL5935740 0.80 MMP13 (0.57) MMP13MMP14MMP12
SCHEMBL941844 0.80 MMP13 (0.57) MMP13MMP14MMP12
SCHEMBL5935747 0.79 ADAM17 (0.52) MMP13MMP12ADAM17

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
EP-1539706-A1 1-SULPHONYL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004024698-A1 1-SULPHONYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-25 WO disclosed