SCHEMBL5776530

SCHEMBL5776530

CS(=O)(=O)c1cc(OCc2ccccc2)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.73
PTGDR Q13258 7/20 0.62
PDE2A O00408 3/20 0.60

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
SCHEMBL5776492 0.90 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL5775869 0.87 TBXA2R (0.54) TBXA2RPTGDRPDE2A
SCHEMBL5812466 0.85 TBXA2R (0.82) TBXA2RPTGDRPDE2A
SCHEMBL5774518 0.84 TBXA2R (0.81) TBXA2RPTGDRPDE2A
SCHEMBL5800203 0.84 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5777289 0.84 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL6690976 0.80 TBXA2R (0.90) TBXA2RPTGDRPDE2A
SCHEMBL5778152 0.78 TBXA2R (0.77) TBXA2RPTGDR
SCHEMBL5777685 0.77 TBXA2R (0.74) TBXA2RPTGDRPDE2A
SCHEMBL5836363 0.77 TBXA2R (1.00) TBXA2RPTGDRPDE2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR TBXA2R 22/4885PTGDR 1/4885PDE2A 554/4885

“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.