SCHEMBL5050405

SCHEMBL5050405

O=C(O)CCCCCCN(Cc1ccc(-c2nccs2)cc1)S(=O)(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 13/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
CA9 Q16790 4/20 0.47
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL5043235 0.90 PTGER2 (0.44) PTGER2CA12CA1CA2CA4
SCHEMBL5049401 0.86 PTGER2 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL5046559 0.85 CA12 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL5046420 0.85 PTGER2 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL4943884 0.83 CA12 (0.56) PTGER2CA12CA1CA2CA4
SCHEMBL5046581 0.83 PTGER2 (0.48) PTGER2
SCHEMBL4949218 0.82 CA12 (0.43) PTGER2CA12CA1CA2CA4
SCHEMBL27556617 0.81 TBXAS1 (0.40) TBXA2RTBXAS1
SCHEMBL5043170 0.81 PTGER2 (0.56) PTGER2CA12CA1CA2CA4
SCHEMBL27643278 0.81 PTGER2 (0.56) PTGER2CA12CA1CA2CA4

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