SCHEMBL5046406

SCHEMBL5046406

CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccc(Cl)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 5/20 0.43
CA12 O43570 10/20 0.41
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
CA4 P22748 10/20 0.41
CA9 Q16790 10/20 0.41
CXCR3 P49682 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL5046601 0.89 PTGER2 (0.50) PTGER2CA12CA1CA2CA4
SCHEMBL5046519 0.89 CA12 (0.53) PTGER2CA12CA1CA2CA4
SCHEMBL5048025 0.88 PTGER2 (0.41) PTGER2CA12CA1CA2CA4
SCHEMBL5043571 0.87 CA12 (0.56) PTGER2CA12CA1CA2CA4
SCHEMBL5043106 0.87 PTGER2 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL5725038 0.86 CA12 (0.52) PTGER2CA12CA1CA2CA4
SCHEMBL5046401 0.85 PTGER2 (0.58) PTGER2CA12CA1CA2CA4
SCHEMBL5046516 0.84 TAS2R14 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL5046710 0.83 PTGER2 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL5048180 0.77 ADRB2 (0.44) NTRK1

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