SCHEMBL6605630

SCHEMBL6605630

CC(O)c1ccc(-c2sccc2-c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.48
TBXA2R P21731 9/20 0.48
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
MCL1 Q07820 1/20 0.40
BRD4 O60885 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL7489203 0.84 PTGER1 (0.47) PTGER1TBXA2RBRD4
SCHEMBL7566760 0.83 PTGER1 (0.47) PTGER1TBXA2RMCL1BRD4RXRA
SCHEMBL6604823 0.83 PTGS1 (0.55) PTGER1TBXA2RMCL1RXRARXRB
SCHEMBL6603715 0.81 PTGER1 (0.48) PTGER1TBXA2RPTGER4PTGER3PTGER2
SCHEMBL6604669 0.81 RXRA (0.62) PTGER1TBXA2RPTGER4PTGER3PTGER2
SCHEMBL6604924 0.80 PTGER1 (0.62) PTGER1TBXA2RPTGER4PTGER3PTGER2
SCHEMBL10785009 0.73 RXRA (0.52) PTGER1PTGER4PTGER3PTGER2MCL1
SCHEMBL6605970 0.71 RXRA (0.66) PTGER1TBXA2RPTGER4PTGER3PTGER2
SCHEMBL9121973 0.71 ACACB (0.60)
Biphenyl SCHEMBL9839827 0.70 ACACB (0.59)

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 7 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
US-6369084-B1 PROSTAGLANDIN MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2002-04-09 US 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 20/4885PTGER4 10/4885

“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.