SCHEMBL5046581

SCHEMBL5046581

O=C(O)CCCCCCN(Cc1ccc(-c2nccs2)cc1)S(=O)(=O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 13/20 0.48
LTA4H P09960 1/20 0.43

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
SCHEMBL5046415 0.90 PTGER2 (0.44) PTGER2LTA4H
SCHEMBL5049502 0.85 PTGER2 (0.52) PTGER2
SCHEMBL5046424 0.83 FNTA (0.44) LTA4H
SCHEMBL5050405 0.83 PTGER2 (0.48) PTGER2
SCHEMBL533204 0.78 PTGER2 (0.81) PTGER2
Hydrochloric Acid SCHEMBL10316789 0.78 PTGER2 (0.81) PTGER2
SCHEMBL5046626 0.78 PTGER2 (0.46) PTGER2
SCHEMBL5050272 0.77 TBXAS1 (0.53) PTGER2
SCHEMBL5046359 0.77 PTGER2 (0.50) PTGER2
SCHEMBL1471252 0.76 PTGER2 (0.42) 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