SCHEMBL5043152

SCHEMBL5043152

CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 11/20 0.64
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 2/20 0.49

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
SCHEMBL5048116 0.90 PTGER2 (0.60) PTGER2CA12CA1CA2CA4
SCHEMBL5050319 0.88 PTGER2 (0.62) PTGER2
SCHEMBL5049429 0.86 PTGER2 (0.55) PTGER2
SCHEMBL5046383 0.86 PTGER2 (0.59) PTGER2CA12CA1CA2CA4
SCHEMBL5043203 0.83 PTGER2 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL5046928 0.83 PTGER2 (0.54) PTGER2
SCHEMBL5049502 0.83 PTGER2 (0.52) PTGER2
SCHEMBL5046454 0.82 PTGER2 (0.55) PTGER2CA12CA1CA2CA4
SCHEMBL5046588 0.81 PTGER2 (0.54) PTGER2
SCHEMBL5049404 0.81 PTGER2 (0.51) PTGER2

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