SCHEMBL5046372

SCHEMBL5046372

COC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 14/20 0.54
TDP1 Q9NUW8 1/20 0.48
PTGES O14684 1/20 0.47
TAS2R8 Q9NYW2 1/20 0.47
CXCR3 P49682 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL5048032 0.92 CXCR3 (0.55) TAS2R14CXCR3CA12CA1CA2
SCHEMBL5048075 0.91 PTGER2 (0.54) CA12CA1CA2CA4CA9
SCHEMBL13399316 0.91 TAS2R14 (0.48) TAS2R14PTGESTAS2R8CA12CA1
SCHEMBL13399054 0.90 TAS2R14 (0.51) TAS2R14CA12CA1CA2CA4
SCHEMBL5046836 0.90 TAS2R14 (0.53) TAS2R14CXCR3CA12CA1CA2
SCHEMBL5043544 0.90 TAS2R14 (0.57) TAS2R14TDP1PTGESTAS2R8CXCR3
SCHEMBL6059016 0.89 PTGER2 (0.53) TDP1
SCHEMBL5042997 0.88 TAS2R14 (0.49) TAS2R14TDP1PTGESTAS2R8CA12
SCHEMBL5043584 0.86 PTGER2 (0.48) TAS2R14TDP1CA12CA1CA2
SCHEMBL5046568 0.86 PTGER2 (0.54) TAS2R14CA12CA1CA2CA4

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 3 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