SCHEMBL5049409

SCHEMBL5049409

COC(=O)CCc1cccc(CN(Cc2ccc(-c3cncnc3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.51
TDP1 Q9NUW8 1/20 0.47
PTGER2 P43116 3/20 0.45
PTGES O14684 1/20 0.44
TAS2R8 Q9NYW2 1/20 0.44
CXCR3 P49682 1/20 0.44
PTPN1 P18031 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 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
SCHEMBL5043568 0.92 CXCR3 (0.50) TAS2R14PTGER2CXCR3CA12CA1
SCHEMBL5046393 0.92 PTGER2 (0.52) PTGER2CA12CA1CA2CA4
SCHEMBL5043544 0.91 TAS2R14 (0.57) TAS2R14TDP1PTGER2PTGESTAS2R8
SCHEMBL5046568 0.91 PTGER2 (0.54) TAS2R14PTGER2CA12CA1CA2
SCHEMBL5050266 0.90 TAS2R14 (0.49) TAS2R14PTGER2PTGESCA12CA1
SCHEMBL5050304 0.87 PTGER2 (0.52) PTGER2
SCHEMBL5049393 0.86 PTGER2 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL5046372 0.85 TAS2R14 (0.54) TAS2R14TDP1PTGESTAS2R8CXCR3
SCHEMBL5043584 0.85 PTGER2 (0.48) TAS2R14TDP1PTGER2PTPN1CA12
SCHEMBL5042997 0.83 TAS2R14 (0.49) TAS2R14TDP1PTGER2PTGESTAS2R8

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