SCHEMBL5043097

SCHEMBL5043097

O=C(O)CCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 13/20 0.74
PTGER4 P35408 1/20 0.67
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA4 P22748 4/20 0.51
CA9 Q16790 4/20 0.51

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
SCHEMBL13399072 0.92 PTGER2 (0.68) PTGER2PTGER4CA12CA1CA2
SCHEMBL5046726 0.92 PTGER2 (0.62) PTGER2PTGER4CA12CA1CA2
SCHEMBL5047969 0.91 PTGER2 (0.69) PTGER2PTGER4CA12CA1CA2
SCHEMBL13399154 0.88 PTGER2 (0.78) PTGER2PTGER4CA12CA1CA2
SCHEMBL27547780 0.86 PTGER2 (0.60) PTGER2PTGER4CA12CA1CA2
SCHEMBL27771930 0.86 PTGER2 (0.72) PTGER2PTGER4CA12CA1CA2
Taprenepag SCHEMBL29379291 0.85 PTGER2 (1.00) PTGER2PTGER4CA12CA1CA2
SCHEMBL22107573 0.85 PTGER2 (0.76) PTGER2PTGER4CA12CA1CA2
Taprenepag SCHEMBL3318549 0.85 PTGER2 (1.00) PTGER2PTGER4CA12CA1CA2
Taprenepag SCHEMBL5047978 0.84 PTGER2 (0.98) PTGER2PTGER4CA12CA1CA2

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