SCHEMBL5043544

SCHEMBL5043544

COC(=O)CCc1cccc(CN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 10/20 0.57
TDP1 Q9NUW8 1/20 0.53
CNR2 P34972 1/20 0.52
PTPN1 P18031 3/20 0.50
MEP1B Q16820 1/20 0.50
PTGES O14684 1/20 0.50
TAS2R8 Q9NYW2 1/20 0.50
CXCR3 P49682 1/20 0.50
PTGER2 P43116 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL5046568 0.91 PTGER2 (0.54) TAS2R14PTGER2CA12CA1CA2
SCHEMBL5049409 0.91 TAS2R14 (0.51) TAS2R14TDP1PTPN1PTGESTAS2R8
SCHEMBL5046372 0.90 TAS2R14 (0.54) TAS2R14TDP1PTGESTAS2R8CXCR3
SCHEMBL5047963 0.89 TDP1 (0.52) TDP1PTPN1CA12CA1CA2
SCHEMBL5043193 0.89 TAS2R14 (0.56) TAS2R14CNR2MEP1BPTGESCA12
SCHEMBL5046594 0.88 TAS2R14 (0.54) TAS2R14TDP1PTPN1PTGESTAS2R8
SCHEMBL5043402 0.88 PTGER2 (0.56) TAS2R14TDP1PTGER2CA12CA1
SCHEMBL5042997 0.87 TAS2R14 (0.49) TAS2R14TDP1PTPN1PTGESTAS2R8
SCHEMBL5049393 0.86 PTGER2 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL5043584 0.86 PTGER2 (0.48) TAS2R14TDP1PTPN1PTGER2CA12

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