SCHEMBL5046671

SCHEMBL5046671

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.72
CA1 P00915 15/20 0.72
CA2 P00918 15/20 0.72
CA4 P22748 15/20 0.72
CA9 Q16790 15/20 0.72
PTGER2 P43116 2/20 0.54
DAGLA Q9Y4D2 1/20 0.54
CXCR3 P49682 1/20 0.54
PTPN1 P18031 1/20 0.51

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
SCHEMBL5046385 0.92 CA12 (0.61) CA12CA1CA2CA4CA9
SCHEMBL13399074 0.92 CA12 (0.61) CA12CA1CA2CA4CA9
SCHEMBL5049462 0.90 CA12 (0.61) CA12CA1CA2CA4CA9
SCHEMBL5043571 0.88 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL4947305 0.87 CA12 (0.75) CA12CA1CA2CA4CA9
SCHEMBL5050274 0.87 CA12 (0.58) CA12CA1CA2CA4CA9
SCHEMBL5046519 0.86 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL27490480 0.86 CXCR3 (0.60) CA12CA1CA2CA4CA9
SCHEMBL5050517 0.85 PTGER2 (0.56) CA12CA1CA2CA4CA9
SCHEMBL5046908 0.85 CA12 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP claimed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP claimed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO claimed
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