SCHEMBL5043219

SCHEMBL5043219

COC(=O)CCc1cccc(CN(Cc2cc3ccccc3o2)S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 8/20 0.45
KMT2A Q03164 2/20 0.43
PTGER2 P43116 2/20 0.43
MEP1B Q16820 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5043600 0.93 PTGER2 (0.49) TAS2R14KMT2APTGER2LMNATDP1
SCHEMBL5043218 0.90 KMT2A (0.52) TAS2R14KMT2APTGER2MEP1BHTT
SCHEMBL5047891 0.83 PTGER2 (0.52) TAS2R14KMT2APTGER2LMNAHTT
SCHEMBL5047945 0.79 TAS2R14 (0.58) TAS2R14KMT2AMEP1BLMNAHTT
SCHEMBL5048210 0.77 ALDH1A1 (0.45) TAS2R14KMT2AMEP1BLMNAALDH1A1
SCHEMBL5050398 0.75 SIRT2 (0.42) ALDH1A1
SCHEMBL5043544 0.74 TAS2R14 (0.57) TAS2R14PTGER2MEP1BCNR2TDP1
SCHEMBL5046594 0.72 TAS2R14 (0.54) TAS2R14TDP1
SCHEMBL5043402 0.72 PTGER2 (0.56) TAS2R14PTGER2TDP1
SCHEMBL5042984 0.72 TAS2R14 (0.56) TAS2R14LMNATSHRHTTTDP1

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