SCHEMBL5043099

SCHEMBL5043099

COC(=O)CCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 16/20 0.50
PTGER4 P35408 1/20 0.43
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5046588 0.90 PTGER2 (0.54) PTGER2PTGER4
SCHEMBL5047921 0.89 PTGER2 (0.58) PTGER2PTGER4TDP1
SCHEMBL5050457 0.87 PTGER2 (0.48) PTGER2PTGER4TDP1
SCHEMBL5048027 0.86 PTGER2 (0.44) PTGER2PTGER4TDP1
SCHEMBL5049397 0.85 PTGER2 (0.49) PTGER2PTGER4TDP1
SCHEMBL5046825 0.85 PTGER2 (0.60) PTGER2TDP1
SCHEMBL5047969 0.84 PTGER2 (0.69) PTGER2PTGER4
SCHEMBL6059016 0.84 PTGER2 (0.53) PTGER2TDP1
SCHEMBL13398726 0.83 PTGER2 (0.63) PTGER2PTGER4
SCHEMBL5048116 0.83 PTGER2 (0.60) PTGER2TDP1

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