SCHEMBL5043584

SCHEMBL5043584

COC(=O)CCc1cccc(CN(Cc2ccc(-c3cnccn3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 5/20 0.48
TAS2R14 Q9NYV8 5/20 0.48
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA4 P22748 3/20 0.45
CA9 Q16790 3/20 0.45
PTPN1 P18031 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 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
SCHEMBL5043242 0.94 PTGER2 (0.53) PTGER2CA12CA1CA2CA4
SCHEMBL5043662 0.92 TBXAS1 (0.51) PTGER2TAS2R14CA12CA1CA2
SCHEMBL5043197 0.91 PTGER2 (0.51) PTGER2TAS2R14CA12CA1CA2
SCHEMBL5046547 0.90 PTGER2 (0.49) PTGER2
SCHEMBL5046568 0.87 PTGER2 (0.54) PTGER2TAS2R14CA12CA1CA2
SCHEMBL5047948 0.87 PTGER2 (0.39) PTGER2CA12CA1CA2CA4
SCHEMBL5046372 0.86 TAS2R14 (0.54) TAS2R14CA12CA1CA2CA4
SCHEMBL5043544 0.86 TAS2R14 (0.57) PTGER2TAS2R14CA12CA1CA2
SCHEMBL5050296 0.85 PTGER2 (0.56) PTGER2CA12CA1CA2CA4
SCHEMBL5049409 0.85 TAS2R14 (0.51) PTGER2TAS2R14CA12CA1CA2

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