SCHEMBL5050271

SCHEMBL5050271

COc1ccc(S(=O)(=O)N(Cc2ccc(-n3cccn3)cc2)Cc2cccc(OCC(=O)O)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.76
CA12 O43570 10/20 0.59
CA1 P00915 10/20 0.59
CA2 P00918 10/20 0.59
CA4 P22748 10/20 0.59
CA9 Q16790 10/20 0.59
TAS2R14 Q9NYV8 6/20 0.58
PTGES O14684 1/20 0.51
TAS2R8 Q9NYW2 1/20 0.51
CXCR3 P49682 1/20 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
Hydrochloric Acid SCHEMBL5046815 0.91 PTGER2 (0.84) PTGER2CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL5050298 0.90 PTGER2 (0.76) PTGER2CA12CA1CA2CA4
SCHEMBL5047967 0.90 PTGER2 (0.63) PTGER2CA12CA1CA2CA4
SCHEMBL5049443 0.86 PTGER2 (0.79) PTGER2CA12CA1CA2CA4
Taprenepag SCHEMBL29379291 0.86 PTGER2 (1.00) PTGER2CA12CA1CA2CA4
Taprenepag SCHEMBL3318549 0.86 PTGER2 (1.00) PTGER2CA12CA1CA2CA4
Taprenepag SCHEMBL5047978 0.86 PTGER2 (0.98) PTGER2CA12CA1CA2CA4
SCHEMBL13399007 0.85 PTGER2 (0.67) PTGER2CA12CA1CA2CA4
SCHEMBL30068976 0.85 MAPK1 (0.59) PTGER2TAS2R14PTGESTAS2R8CXCR3
SCHEMBL5046590 0.84 PTGER2 (0.73) PTGER2CA12CA1CA2CA4

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