SCHEMBL5043627

SCHEMBL5043627

CC(C)Cc1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 10/20 0.53
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
CNR2 P34972 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
STAT3 P40763 1/20 0.48

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
SCHEMBL28746051 0.95 TAS2R14 (0.50) TAS2R14CA12CA1CA2CA4
SCHEMBL5046594 0.91 TAS2R14 (0.54) TAS2R14CA12CA1CA2CA4
SCHEMBL5043193 0.87 TAS2R14 (0.56) TAS2R14CA12CA1CA2CA4
SCHEMBL5046383 0.85 PTGER2 (0.59) TAS2R14CA12CA1CA2CA4
SCHEMBL5046836 0.81 TAS2R14 (0.53) TAS2R14CA12CA1CA2CA4
SCHEMBL5050266 0.81 TAS2R14 (0.49) TAS2R14CA12CA1CA2CA4
SCHEMBL27537714 0.81 TAS2R14 (0.54) TAS2R14CA12CA1CA2CA4
SCHEMBL5048109 0.79 TAS2R14 (0.69) TAS2R14MEN1KMT2A
SCHEMBL6059002 0.79 ALDH1A1 (0.60) TAS2R14CA12CA1CA2CA4
SCHEMBL5046892 0.79 PTGER2 (0.57) 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 6 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
CN-1211367-C Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2005-07-20 CN disclosed
CN-1566096-A Prostaglandin agonists and their use to treat bonedisorders PFIZER (US) 2005-01-19 CN 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
CN-1275123-A Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2000-11-29 CN disclosed