SCHEMBL534420

SCHEMBL534420

CC(C)(Cc1ccc(Br)c(C(Cc2ccc(-c3ccccc3)nn2)NS(=O)(=O)c2cccnc2)n1)OC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.37
USP2 O75604 1/20 0.32
USP8 P40818 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
ITGAV P06756 1/20 0.31
ADAMTS4 O75173 1/20 0.30

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
SCHEMBL6516006 0.89 PTGER2 (0.32) ADAM17USP2USP8SLC1A3SLC1A2
SCHEMBL533750 0.82 USP2 (0.31) ADAM17USP2USP8
SCHEMBL11021873 0.81 PTGER2 (0.40)
SCHEMBL533748 0.80 SLC1A3 (0.32) ADAM17SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL534421 0.78 SLC1A3 (0.31) ADAM17SLC1A3SLC1A2SLC1A1
SCHEMBL3458629 0.78 F2 (0.31) ADAM17USP2USP8SLC1A3SLC1A2
SCHEMBL6516015 0.77 PTGER2 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL533428 0.70 SLC1A3 (0.33) ADAM17USP2USP8SLC1A3SLC1A2
SCHEMBL3458635 0.70 PTGER2 (0.33)
SCHEMBL15647720 0.70 PTGER2 (0.43)

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-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed