SCHEMBL5048240

SCHEMBL5048240

COC(=O)CCCCCCN(Cc1ccc(-c2nccs2)cc1)S(=O)(=O)c1cn(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.44
FNTA P49354 13/20 0.42
FNTB P49356 13/20 0.42
PGGT1B P53609 10/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 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
SCHEMBL5046424 0.92 FNTA (0.44) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL5043195 0.86 TLR7 (0.47) TLR7FNTAFNTBPGGT1BMEN1
SCHEMBL5046415 0.85 PTGER2 (0.44) LTA4H
SCHEMBL5043235 0.80 PTGER2 (0.44)
SCHEMBL5048029 0.79 FFAR1 (0.47) TLR7FNTAFNTBPGGT1BMEN1
SCHEMBL6058900 0.79 MEN1 (0.47) TLR7FNTAFNTBPGGT1BMEN1
SCHEMBL13626587 0.78 NR1H2 (0.43) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL8272711 0.78 PTGER2 (0.49) MEN1KMT2ANR1H2NR1H3
SCHEMBL13399073 0.76 PTGER2 (0.51) TLR7FNTAFNTBPGGT1BMEN1
SCHEMBL5046581 0.75 PTGER2 (0.48) LTA4H

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