SCHEMBL5049397

SCHEMBL5049397

COC(=O)CCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2nccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.49
PTGER4 P35408 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL13399184 0.92 PTGER2 (0.58) PTGER2PTGER4TDP1MAPTMEN1
SCHEMBL13399034 0.91 PTGER2 (0.49) PTGER2PTGER4MAPTMEN1PKM
SCHEMBL5049363 0.91 PTGER2 (0.53) PTGER2PTGER4MAPTMEN1PKM
SCHEMBL6058717 0.88 PTGER2 (0.47) PTGER2PTGER4MAPTMEN1PKM
SCHEMBL5047921 0.86 PTGER2 (0.58) PTGER2PTGER4TDP1
SCHEMBL5043099 0.85 PTGER2 (0.50) PTGER2PTGER4TDP1
SCHEMBL13399232 0.84 PTGER2 (0.62) PTGER2PTGER4CA12CA1CA2
SCHEMBL5050457 0.83 PTGER2 (0.48) PTGER2PTGER4TDP1MAPTMEN1
SCHEMBL5048140 0.83 TDP1 (0.41) PTGER2TDP1EP300
SCHEMBL5043204 0.83 PTGER2 (0.49) PTGER2TDP1CA12CA1CA2

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