SCHEMBL5042987

SCHEMBL5042987

COC(=O)CCc1cccc(CN(C(C2=CC=CCC2)C2=COC=CO2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP8 P22894 3/20 0.34
BMP1 P13497 2/20 0.34
PTPN1 P18031 3/20 0.33
HTT P42858 1/20 0.33
TAS2R14 Q9NYV8 2/20 0.33
MMP13 P45452 2/20 0.33
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6059008 0.92 MMP2 (0.33) MMP2MMP9MMP8HTTTAS2R14
SCHEMBL5047931 0.89 EP300 (0.33) TDP1
SCHEMBL5048106 0.82 PTGER2 (0.33)
SCHEMBL5048122 0.78 SIRT2 (0.32) PTPN1
SCHEMBL5725452 0.68 PTGER4 (0.30)
SCHEMBL5043544 0.66 TAS2R14 (0.57) TDP1PTPN1TAS2R14
SCHEMBL5046594 0.66 TAS2R14 (0.54) TDP1PTPN1TAS2R14
SCHEMBL5043402 0.64 PTGER2 (0.56) TDP1BMP1TAS2R14
SCHEMBL5042984 0.64 TAS2R14 (0.56) TDP1HTTTAS2R14SMN1; SMN2
SCHEMBL5048100 0.64 TAS2R14 (0.64) TDP1BMP1HTTTAS2R14

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