SCHEMBL5049403

SCHEMBL5049403

O=C(O)COc1cccc(CN(Cc2ccc(-c3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1.[Na]

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.74
CA1 P00915 10/20 0.74
CA2 P00918 10/20 0.74
CA4 P22748 10/20 0.74
CA9 Q16790 10/20 0.74
PTGER2 P43116 8/20 0.71
CYP11B1 P15538 1/20 0.54
PTPN1 P18031 1/20 0.54

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
SCHEMBL13399147 1.00 CA12 (0.74) CA12CA1CA2CA4CA9
SCHEMBL5049398 0.99 CA12 (0.73) CA12CA1CA2CA4CA9
SCHEMBL4948341 0.96 CA12 (0.80) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL6059996 0.95 CA12 (0.78) CA12CA1CA2CA4CA9
SCHEMBL5049400 0.92 PTGER2 (0.72) CA12CA1CA2CA4CA9
SCHEMBL4943989 0.91 CA12 (0.80) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL5046767 0.90 CA12 (0.76) CA12CA1CA2CA4CA9
SCHEMBL5047904 0.89 CA12 (0.71) CA12CA1CA2CA4CA9
SCHEMBL5043167 0.89 PTGER2 (0.64) CA12CA1CA2CA4CA9
SCHEMBL5726193 0.89 CA12 (0.66) CA12CA1CA2CA4CA9

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