SCHEMBL5046419

SCHEMBL5046419

O=C(O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 11/20 0.56
TAS2R14 Q9NYV8 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA9 Q16790 2/20 0.54
POLB P06746 1/20 0.51
TBXA2R P21731 1/20 0.50

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
SCHEMBL5046836 0.92 TAS2R14 (0.53) CXCR3TAS2R14MEN1KMT2ACA12
SCHEMBL13399066 0.91 CXCR3 (0.55) CXCR3TAS2R14MEN1KMT2ACA12
SCHEMBL5048032 0.90 CXCR3 (0.55) CXCR3TAS2R14MEN1KMT2ACA12
SCHEMBL5046908 0.88 CA12 (0.52) CXCR3TAS2R14MEN1KMT2ACA12
SCHEMBL13399160 0.86 CXCR3 (0.50) CXCR3TAS2R14MEN1KMT2ACA12
SCHEMBL5046407 0.86 TBXAS1 (0.51) CXCR3TAS2R14MEN1KMT2ACA12
SCHEMBL5047957 0.85 CXCR3 (0.52) CXCR3TAS2R14MEN1KMT2ACA12
SCHEMBL5046357 0.85 CA12 (0.57) CA12CA1CA2CA4CA9
SCHEMBL13399054 0.84 TAS2R14 (0.51) TAS2R14MEN1KMT2ACA12CA1
SCHEMBL5049429 0.84 PTGER2 (0.55)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP claimed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP claimed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO claimed
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