SCHEMBL5043571

SCHEMBL5043571

CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.56
CA1 P00915 12/20 0.56
CA2 P00918 12/20 0.56
CA4 P22748 12/20 0.56
CA9 Q16790 12/20 0.56
CXCR3 P49682 3/20 0.51
PTGER2 P43116 2/20 0.49
DAGLA Q9Y4D2 1/20 0.45
TAS2R14 Q9NYV8 2/20 0.43

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
SCHEMBL5043106 0.93 PTGER2 (0.51) CA12CA1CA2CA4CA9
SCHEMBL5046516 0.92 TAS2R14 (0.54) CA12CA1CA2CA4CA9
SCHEMBL13399074 0.89 CA12 (0.61) CA12CA1CA2CA4CA9
SCHEMBL5046671 0.88 CA12 (0.72) CA12CA1CA2CA4CA9
SCHEMBL5046710 0.88 PTGER2 (0.51) CA12CA1CA2CA4CA9
SCHEMBL5725038 0.87 CA12 (0.52) CA12CA1CA2CA4CA9
SCHEMBL5046406 0.87 PTGER2 (0.43) CA12CA1CA2CA4CA9
SCHEMBL5046601 0.87 PTGER2 (0.50) CA12CA1CA2CA4CA9
SCHEMBL5042979 0.83 PTGER2 (0.63) CA12CA1CA2CA4CA9
SCHEMBL5048025 0.82 PTGER2 (0.41) CA12CA1CA2CA4CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed