SCHEMBL5050455

SCHEMBL5050455

O=C(O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.58
CA1 P00915 9/20 0.58
CA2 P00918 9/20 0.58
CA4 P22748 9/20 0.58
CA9 Q16790 9/20 0.58
PTGER2 P43116 9/20 0.56

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
SCHEMBL13399365 0.99 CA12 (0.59) CA12CA1CA2CA4CA9
SCHEMBL5050459 0.98 CA12 (0.61) CA12CA1CA2CA4CA9
SCHEMBL13399267 0.90 PTGER2 (0.52) CA12CA1CA2CA4CA9
SCHEMBL5049418 0.90 CA12 (0.71) CA12CA1CA2CA4CA9
SCHEMBL5050456 0.90 PTGER2 (0.56) CA12CA1CA2CA4CA9
SCHEMBL13398771 0.88 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL5046554 0.86 PTGER2 (0.51) CA12CA1CA2CA4CA9
SCHEMBL8211041 0.84 CA12 (0.52) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL5046437 0.84 CA12 (0.51) CA12CA1CA2CA4CA9
SCHEMBL5049429 0.83 PTGER2 (0.55) PTGER2

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