SCHEMBL5049401

SCHEMBL5049401

O=C(O)CCCCCCN(Cc1ccc(-c2ncccn2)cc1)S(=O)(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 12/20 0.51
TBXA2R P21731 2/20 0.48
TBXAS1 P24557 2/20 0.48
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA9 Q16790 4/20 0.48
TAS2R14 Q9NYV8 1/20 0.46

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
SCHEMBL5043275 0.88 PTGER2 (0.46) PTGER2CA12CA1CA2CA4
SCHEMBL5046420 0.88 PTGER2 (0.54) PTGER2TBXA2RTBXAS1CA12CA1
SCHEMBL5050405 0.86 PTGER2 (0.48) PTGER2TBXA2RTBXAS1CA12CA1
SCHEMBL5043170 0.84 PTGER2 (0.56) PTGER2TBXA2RTBXAS1CA12CA1
SCHEMBL12749299 0.84 PTGER2 (0.65) PTGER2
SCHEMBL27643278 0.84 PTGER2 (0.56) PTGER2TBXA2RTBXAS1CA12CA1
SCHEMBL5046357 0.83 CA12 (0.57) PTGER2CA12CA1CA2CA4
SCHEMBL4945973 0.81 CA12 (0.58) PTGER2CA12CA1CA2CA4
SCHEMBL5046382 0.81 PTGER2 (0.65) PTGER2TBXA2RTBXAS1CA12CA1
SCHEMBL12749283 0.79 CNR2 (0.46) PTGER2TBXA2RTBXAS1

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