SCHEMBL533797

SCHEMBL533797

CC(C)(Cc1cccc(C(N)(Cc2ccc(Br)cc2)S(=O)(=O)c2cccnc2)n1)OC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 17/20 0.36
KMT2A Q03164 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL534322 0.92 PTGER2 (0.41) PTGER2
SCHEMBL3459169 0.87 PTGER2 (0.41) PTGER2
SCHEMBL3459925 0.83 PTGER2 (0.53) PTGER2
SCHEMBL534415 0.81 CTSS (0.36) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL3458702 0.79 PTGER2 (0.46) PTGER2
SCHEMBL533750 0.77 USP2 (0.31) ADAM17
SCHEMBL11023980 0.76 PTGER2 (0.59) PTGER2
SCHEMBL533799 0.75 PTGER2 (0.34) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL533798 0.74 PTGER2 (0.33) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL3459175 0.72 PTGER2 (0.40) PTGER2KMT2AMMP1MMP9MMP13

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
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