SCHEMBL6607313

SCHEMBL6607313

O=C(O)c1cc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)ccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 19/20 0.74
TBXA2R P21731 10/20 0.74
CYP2C9 P11712 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.52

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
SCHEMBL6605588 0.90 PTGER1 (0.71) PTGER1TBXA2RCYP2C9MRGPRX4
SCHEMBL6609635 0.88 PTGER1 (0.71) PTGER1TBXA2RCYP2C9
SCHEMBL6605099 0.87 PTGER1 (0.81) PTGER1TBXA2RCYP2C9MRGPRX4
SCHEMBL6245317 0.85 PTGER1 (1.00) PTGER1TBXA2RCYP2C9
SCHEMBL6604857 0.83 PTGER1 (1.00) PTGER1TBXA2RCYP2C9
SCHEMBL4446350 0.82 PTGER1 (0.74) PTGER1TBXA2RCYP2C9MRGPRX4
SCHEMBL5100875 0.81 PTGER1 (1.00) PTGER1TBXA2RCYP2C9
SCHEMBL6605261 0.81 PTGER1 (0.85) PTGER1TBXA2RCYP2C9
SCHEMBL4448139 0.80 PTGER1 (0.90) PTGER1TBXA2RCYP2C9MRGPRX4
SCHEMBL7495587 0.79 PTGER1 (0.66) PTGER1TBXA2RCYP2C9

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
EP-1216238-B1 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA INC (CA) 2004-02-18 EP claimed
US-6369084-B1 PROSTAGLANDIN MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2002-04-09 US claimed
EP-1216238-B1 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA INC (CA) 2004-02-18 EP disclosed
EP-1216238-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Frosst Canada & Co. (CA) 2002-06-26 EP disclosed
US-6369084-B1 PROSTAGLANDIN MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2002-04-09 US disclosed
WO-2001019814-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 2001-03-22 WO disclosed