SCHEMBL5048075

SCHEMBL5048075

COC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 15/20 0.54
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA4 P22748 4/20 0.52
CA9 Q16790 4/20 0.52

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
SCHEMBL13399315 0.91 PTGER2 (0.57) PTGER2CA12CA1CA2CA4
SCHEMBL5049393 0.91 PTGER2 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL13398734 0.91 PTGER2 (0.54) PTGER2CA12CA1CA2CA4
SCHEMBL5046372 0.91 TAS2R14 (0.54) CA12CA1CA2CA4CA9
SCHEMBL5046357 0.90 CA12 (0.57) PTGER2CA12CA1CA2CA4
SCHEMBL5043242 0.89 PTGER2 (0.53) PTGER2CA12CA1CA2CA4
SCHEMBL5046393 0.89 PTGER2 (0.52) PTGER2CA12CA1CA2CA4
SCHEMBL5046498 0.89 PTGER2 (0.52) PTGER2CA12CA1CA2CA4
SCHEMBL13420292 0.87 PTGER2 (0.52) PTGER2CA12CA1CA2CA4
SCHEMBL5048032 0.86 CXCR3 (0.55) 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 5 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
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed