SCHEMBL5049396

SCHEMBL5049396

CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.55
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
CA4 P22748 10/20 0.55
CA9 Q16790 10/20 0.55
PTGER2 P43116 6/20 0.55
TAS2R14 Q9NYV8 2/20 0.51
PTPN1 P18031 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
SCHEMBL5046365 0.91 CA12 (0.57) CA12CA1CA2CA4CA9
SCHEMBL5043104 0.91 PTGER2 (0.59) CA12CA1CA2CA4CA9
SCHEMBL5046622 0.90 PTGER2 (0.59) CA12CA1CA2CA4CA9
SCHEMBL5049391 0.88 CA12 (0.70) CA12CA1CA2CA4CA9
SCHEMBL5049385 0.87 CA12 (0.69) CA12CA1CA2CA4CA9
SCHEMBL5043167 0.86 PTGER2 (0.64) CA12CA1CA2CA4CA9
SCHEMBL5049386 0.86 PTGER2 (0.62) CA12CA1CA2CA4CA9
SCHEMBL5049408 0.85 PTGER2 (0.65) CA12CA1CA2CA4CA9
SCHEMBL5046554 0.83 PTGER2 (0.51) CA12CA1CA2CA4CA9
SCHEMBL5048002 0.82 PTGER2 (0.69) 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