SCHEMBL5046352

SCHEMBL5046352

Cn1cnc(S(=O)(=O)N(Cc2ccc(-c3cnccn3)cc2)Cc2cccc(CCC(=O)O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.45
FNTB P49356 11/20 0.45
PGGT1B P53609 8/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
PTGER2 P43116 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL5049365 0.92 TLR7 (0.46) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL5046930 0.87 MEN1 (0.47) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL5049404 0.85 PTGER2 (0.51) PTGER2
SCHEMBL5048029 0.85 FFAR1 (0.47) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL5043197 0.84 PTGER2 (0.51) PTGER2
SCHEMBL5050296 0.83 PTGER2 (0.56) PTGER2
SCHEMBL5046407 0.81 TBXAS1 (0.51) MEN1KMT2APTGER2
SCHEMBL5047934 0.81 PTGER2 (0.41) PTGER2
SCHEMBL5050570 0.81 PTGER2 (0.51) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL13399305 0.79 PTGER2 (0.48) PTGER2

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