SCHEMBL2927547

SCHEMBL2927547

COc1ccc(S(=O)(=O)N2[C@H](C(=O)NO)C[C@@H]3CCN(C(=O)O)C[C@@H]32)cc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.75
MMP2 P08253 6/20 0.75
MMP12 P39900 1/20 0.75
MMP1 P03956 19/20 0.55
MMP13 P45452 17/20 0.55
MMP3 P08254 16/20 0.55
MMP7 P09237 16/20 0.55
MMP8 P22894 1/20 0.54
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
SCHEMBL1656118 0.92 MMP9 (0.72) MMP9MMP2MMP12MMP1MMP13
SCHEMBL5546935 0.90 MMP9 (0.61) MMP9MMP2MMP12MMP1MMP13
SCHEMBL2925250 0.90 MMP9 (0.61) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1655595 0.90 MMP9 (0.75) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1656134 0.89 MMP9 (0.73) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1656114 0.89 MMP9 (0.73) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1656257 0.89 MMP9 (0.68) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1655811 0.89 MMP9 (0.68) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1655664 0.87 MMP9 (0.73) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1655768 0.87 MMP2 (0.66) MMP9MMP2MMP12MMP1MMP13

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
EP-1768979-B1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF MERCK SERONO SA (CH) 2010-09-29 EP claimed
EP-1768979-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-04 EP claimed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO claimed