SCHEMBL5046407

SCHEMBL5046407

O=C(O)CCc1cccc(CN(Cc2ccc(-c3cnccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
TBXA2R P21731 3/20 0.49
CXCR3 P49682 7/20 0.49
TAS2R14 Q9NYV8 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGER2 P43116 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
SCHEMBL5043197 0.93 PTGER2 (0.51) CA12CA1CA2CA4CA9
SCHEMBL5043662 0.91 TBXAS1 (0.51) TBXAS1CA12CA1CA2CA4
SCHEMBL5050296 0.89 PTGER2 (0.56) CA12CA1CA2CA4CA9
SCHEMBL5046419 0.86 CXCR3 (0.56) CA12CA1CA2CA4CA9
SCHEMBL5047957 0.85 CXCR3 (0.52) TBXAS1CA12CA1CA2CA4
SCHEMBL5049404 0.85 PTGER2 (0.51) PTGER2
SCHEMBL5047934 0.84 PTGER2 (0.41) TBXAS1CA12CA1CA2CA4
SCHEMBL5043584 0.84 PTGER2 (0.48) CA12CA1CA2CA4CA9
SCHEMBL5046908 0.84 CA12 (0.52) CA12CA1CA2CA4CA9
SCHEMBL5046352 0.81 FNTA (0.45) MEN1KMT2APTGER2

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