SCHEMBL5046401

SCHEMBL5046401

CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccc(Cl)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.58
CA12 O43570 10/20 0.41
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
CA4 P22748 10/20 0.41
CA9 Q16790 10/20 0.41
PTGER4 P35408 1/20 0.39
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36

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
SCHEMBL13399222 0.91 PTGER2 (0.61) PTGER2CA12CA1CA2CA4
SCHEMBL5047918 0.89 PTGER2 (0.70) PTGER2CA12CA1CA2CA4
SCHEMBL5043201 0.88 PTGER2 (0.60) PTGER2CA12CA1CA2CA4
SCHEMBL5043230 0.88 PTGER2 (0.55) PTGER2CA12CA1CA2CA4
SCHEMBL5042979 0.88 PTGER2 (0.63) PTGER2CA12CA1CA2CA4
SCHEMBL5043416 0.87 PTGER2 (0.60) PTGER2CA12CA1CA2CA4
SCHEMBL5048002 0.87 PTGER2 (0.69) PTGER2CA12CA1CA2CA4
SCHEMBL5050278 0.85 PTGER2 (0.60) PTGER2CA12CA1CA2CA4
SCHEMBL5047967 0.85 PTGER2 (0.63) PTGER2CA12CA1CA2CA4
SCHEMBL5046406 0.85 PTGER2 (0.43) 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