SCHEMBL5045378

SCHEMBL5045378

Cc1cc(C)cc(C2=CCNC(C(=O)[C@@H]3[C@@H](C(=O)NO)CC4(CC4)CN3S(C)(=O)=O)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.45
MMP2 P08253 19/20 0.45
MMP9 P14780 14/20 0.45
ERBB2 P04626 6/20 0.39
MMP3 P08254 6/20 0.37
MMP1 P03956 3/20 0.37
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM8 P78325 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAM33 Q9BZ11 1/20 0.36

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
SCHEMBL5038740 0.89 ADAM10 (0.49) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5045388 0.89 ADAM10 (0.49) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5044826 0.89 ADAM10 (0.54) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL6022479 0.89 ADAM10 (0.54) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5042844 0.84 ADAM10 (0.51) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5039619 0.79 ADAM10 (0.61) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5044734 0.79 ADAM10 (0.61) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5037490 0.78 ADAM10 (0.52) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL5038481 0.78 ADAM10 (0.52) ADAM10MMP2MMP9ERBB2MMP3
SCHEMBL4530938 0.77 ADAM10 (0.60) ADAM10MMP2MMP9ERBB2MMP3

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-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP claimed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP claimed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO claimed