SCHEMBL5046908

SCHEMBL5046908

O=C(O)CCc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 3/20 0.52
CA9 Q16790 3/20 0.52
CXCR3 P49682 9/20 0.51
TAS2R14 Q9NYV8 3/20 0.50
FFAR1 O14842 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TBXA2R P21731 1/20 0.48

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
SCHEMBL27511570 0.95 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL5134042 0.92 FFAR1 (0.53) CA12CA1CA2CA4CA9
SCHEMBL5046399 0.90 CXCR3 (0.49) CA12CA1CA2CA4CA9
SCHEMBL5046419 0.88 CXCR3 (0.56) CA12CA1CA2CA4CA9
SCHEMBL27490480 0.87 CXCR3 (0.60) CA12CA1CA2CA4CA9
SCHEMBL27547782 0.87 FFAR1 (0.47) CA12CA1CA2CA4CA9
SCHEMBL5046559 0.86 CA12 (0.54) CA12CA1CA2CA4CA9
SCHEMBL27547740 0.85 CXCR3 (0.52) CA12CA1CA2CA4CA9
SCHEMBL5046671 0.85 CA12 (0.72) CA12CA1CA2CA4CA9
SCHEMBL5049502 0.84 PTGER2 (0.52) FFAR1

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 6 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
CN-1211367-C Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2005-07-20 CN disclosed
CN-1566096-A Prostaglandin agonists and their use to treat bonedisorders PFIZER (US) 2005-01-19 CN 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
CN-1275123-A Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2000-11-29 CN disclosed