SCHEMBL6605970

SCHEMBL6605970

O=C(O)c1ccc(-c2ccsc2-c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.66
RXRB P28702 3/20 0.66
RXRG P48443 2/20 0.66
PTGER1 P34995 9/20 0.58
TBXA2R P21731 3/20 0.55
HPGD P15428 2/20 0.50
MCL1 Q07820 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
MAP4K4 O95819 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
FEN1 P39748 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PSMD14 O00487 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL6604669 0.90 RXRA (0.62) RXRARXRBRXRGPTGER1TBXA2R
SCHEMBL3759214 0.86 RXRA (0.88) RXRARXRBRXRGPTGER1HPGD
SCHEMBL5099618 0.83 RXRA (0.78) RXRARXRBRXRGPTGER1HPGD
SCHEMBL6606655 0.80 RXRA (0.69) RXRARXRBRXRGPTGER1HPGD
SCHEMBL6605099 0.80 PTGER1 (0.81) PTGER1TBXA2R
SCHEMBL6604823 0.78 PTGS1 (0.55) RXRARXRBRXRGPTGER1TBXA2R
SCHEMBL6604924 0.77 PTGER1 (0.62) RXRARXRBRXRGPTGER1TBXA2R
SCHEMBL6606313 0.75 RXRA (0.58) RXRARXRBRXRGPTGER1HPGD
SCHEMBL4446350 0.74 PTGER1 (0.74) PTGER1TBXA2RHPGD
SCHEMBL5620525 0.74 PTGER1 (0.77) RXRARXRBRXRGPTGER1MAP4K4

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 9 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
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 RXRA 1380/4885RXRB 1453/4885RXRG 1377/4885

“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.