SCHEMBL5046568

SCHEMBL5046568

COC(=O)CCc1cccc(CN(Cc2ccc(-c3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 11/20 0.54
CYP11B1 P15538 1/20 0.53
TAS2R14 Q9NYV8 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 2/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL5049393 0.95 PTGER2 (0.54) PTGER2CYP11B1CA12CA1CA2
SCHEMBL5043544 0.91 TAS2R14 (0.57) PTGER2TAS2R14CA12CA1CA2
SCHEMBL13398750 0.91 PTGER2 (0.52) PTGER2CYP11B1TAS2R14PDE4APDE4B
SCHEMBL13626605 0.91 PTGER2 (0.51) PTGER2CYP11B1CA12CA1CA2
SCHEMBL5049409 0.91 TAS2R14 (0.51) PTGER2TAS2R14CA12CA1CA2
SCHEMBL13398810 0.91 PTGER2 (0.53) PTGER2CYP11B1TAS2R14CA12CA1
SCHEMBL5046892 0.91 PTGER2 (0.57) PTGER2CYP11B1CA12CA1CA2
SCHEMBL5046393 0.90 PTGER2 (0.52) PTGER2CA12CA1CA2CA4
SCHEMBL5043153 0.88 PTGER2 (0.53) PTGER2CYP11B1
SCHEMBL5043584 0.87 PTGER2 (0.48) PTGER2TAS2R14PDE4APDE4BPDE4C

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