SCHEMBL6604857

SCHEMBL6604857

O=C(O)Cc1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 1.00
TBXA2R P21731 10/20 1.00
CYP2C9 P11712 2/20 0.56
CYP3A4 P08684 1/20 0.50

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
SCHEMBL6245317 0.88 PTGER1 (1.00) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL6605261 0.86 PTGER1 (0.85) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL5095987 0.85 PTGER1 (0.76) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL6605099 0.83 PTGER1 (0.81) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL6607313 0.83 PTGER1 (0.74) PTGER1TBXA2RCYP2C9
SCHEMBL4448139 0.83 PTGER1 (0.90) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL6609635 0.81 PTGER1 (0.71) PTGER1TBXA2RCYP2C9
SCHEMBL6605588 0.81 PTGER1 (0.71) PTGER1TBXA2RCYP2C9
SCHEMBL5100875 0.80 PTGER1 (1.00) PTGER1TBXA2RCYP2C9CYP3A4
SCHEMBL7495587 0.80 PTGER1 (0.66) PTGER1TBXA2RCYP2C9CYP3A4

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 10 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
EP-1216238-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Frosst Canada & Co. (CA) 2002-06-26 EP claimed
US-6369084-B1 PROSTAGLANDIN MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2002-04-09 US claimed
WO-2001019814-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 2001-03-22 WO 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
US-20020137746-A1 Method of treating or preventing urinary incontinence using prostanoid EP1 receptor antagonists CARL FRANCOIS JOSEPH (CA) 2002-09-26 US 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
EP-1180515-A1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES Ube Industries, Ltd. (JP) 2002-02-20 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020137746-A1 Method of treating or preventing urinary incontinence using prostanoid EP1 receptor antagonists PTGER1, PTGIR, PTGS1 PTGER1 1/4885TBXA2R 20/4885CYP2C9 1367/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.