SCHEMBL5048029

SCHEMBL5048029

Cn1cnc(S(=O)(=O)N(Cc2ccc(-c3nccs3)cc2)Cc2cccc(CCC(=O)O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
FNTA P49354 9/20 0.42
FNTB P49356 9/20 0.42
PGGT1B P53609 7/20 0.42
PTGER2 P43116 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL5043195 0.92 TLR7 (0.47) FFAR1MEN1KMT2ANR1H2NR1H3
SCHEMBL6058900 0.91 MEN1 (0.47) FFAR1MEN1KMT2ANR1H2NR1H3
SCHEMBL5046930 0.89 MEN1 (0.47) MEN1KMT2ANR1H2NR1H3FNTA
SCHEMBL8272711 0.86 PTGER2 (0.49) MEN1KMT2ANR1H2NR1H3PTGER2
SCHEMBL5046424 0.85 FNTA (0.44) MEN1KMT2ANR1H2NR1H3FNTA
SCHEMBL5049502 0.85 PTGER2 (0.52) FFAR1PTGER2
SCHEMBL5046352 0.85 FNTA (0.45) MEN1KMT2ANR1H2NR1H3FNTA
SCHEMBL5134042 0.84 FFAR1 (0.53) FFAR1
SCHEMBL13626587 0.83 NR1H2 (0.43) MEN1KMT2ANR1H2NR1H3FNTA
SCHEMBL5050570 0.82 PTGER2 (0.51) MEN1KMT2ANR1H2NR1H3FNTA

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