SCHEMBL5042997

SCHEMBL5042997

COC(=O)CCc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.49
FFAR1 O14842 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
PTGER2 P43116 2/20 0.44
PTPN1 P18031 1/20 0.44
PTGES O14684 1/20 0.43
TAS2R8 Q9NYW2 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
SCHEMBL5046399 0.92 CXCR3 (0.49) TAS2R14CA12CA1CA2CA4
SCHEMBL5046498 0.91 PTGER2 (0.52) CA12CA1CA2CA4CA9
SCHEMBL5134042 0.91 FFAR1 (0.53) TAS2R14FFAR1CA12CA1CA2
SCHEMBL5046359 0.89 PTGER2 (0.50) FFAR1PTGER2
SCHEMBL5046372 0.88 TAS2R14 (0.54) TAS2R14TDP1CA12CA1CA2
SCHEMBL5043544 0.87 TAS2R14 (0.57) TAS2R14TDP1CA12CA1CA2
SCHEMBL27547782 0.87 FFAR1 (0.47) TAS2R14FFAR1CA12CA1CA2
SCHEMBL5043195 0.84 TLR7 (0.47) FFAR1TDP1PTGER2
SCHEMBL5043584 0.84 PTGER2 (0.48) TAS2R14TDP1CA12CA1CA2
SCHEMBL13626629 0.84 PTGER2 (0.46) 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 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