SCHEMBL5043600

SCHEMBL5043600

COC(=O)CCc1cccc(CN(Cc2cc3ccccc3o2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.49
TAS2R14 Q9NYV8 13/20 0.47
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGES O14684 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.41

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
SCHEMBL5043219 0.93 TAS2R14 (0.45) PTGER2TAS2R14TDP1MAPTMEN1
SCHEMBL5047891 0.90 PTGER2 (0.52) PTGER2TAS2R14MAPTMEN1ALDH1A1
SCHEMBL5043218 0.83 KMT2A (0.52) PTGER2TAS2R14MEN1KMT2APTGES
SCHEMBL5043544 0.81 TAS2R14 (0.57) PTGER2TAS2R14TDP1PTGESTAS2R8
SCHEMBL5046594 0.79 TAS2R14 (0.54) TAS2R14TDP1PTGESTAS2R8
SCHEMBL5043402 0.79 PTGER2 (0.56) PTGER2TAS2R14TDP1
SCHEMBL5042984 0.78 TAS2R14 (0.56) TAS2R14TDP1MAPTALDH1A1LMNA
SCHEMBL5048100 0.78 TAS2R14 (0.64) TAS2R14TDP1MAPTMEN1ALDH1A1
SCHEMBL5050398 0.78 SIRT2 (0.42) ALDH1A1
SCHEMBL5046372 0.77 TAS2R14 (0.54) TAS2R14TDP1PTGESTAS2R8

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