SCHEMBL5778068

SCHEMBL5778068

CS(=O)(=O)c1cc(O)cc2c1cc1n2CCC1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.44
PTGDR Q13258 3/20 0.40
PDE2A O00408 2/20 0.40
S1PR1 P21453 4/20 0.38
PTGER1 P34995 2/20 0.37
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL5775903 0.87 TBXA2R (0.57) TBXA2RPTGDRPDE2APTGER1PTGFR
SCHEMBL5774565 0.87 TBXA2R (0.57) TBXA2RPTGDRPDE2APTGER1PTGFR
SCHEMBL5777130 0.83 S1PR1 (0.44) TBXA2RPTGDRPDE2AS1PR1S1PR5
SCHEMBL5776224 0.82 TBXA2R (0.42) TBXA2RPTGDRPDE2AS1PR1S1PR5
SCHEMBL5777350 0.81 ACE (0.32) TBXA2R
SCHEMBL5774771 0.81 TBXA2R (0.56) TBXA2RPTGDRPDE2APTGER1PTGFR
SCHEMBL5775673 0.80 S1PR1 (0.42) TBXA2RPTGDRS1PR1PTGDR2S1PR5
SCHEMBL5772689 0.76 TBXA2R (0.39) TBXA2RPTGDRPDE2APTGER2PTGDR2
SCHEMBL2926749 0.75 TBXA2R (0.54) TBXA2RPTGDRS1PR1PTGER1PTGFR
SCHEMBL5775625 0.71 S1PR1 (0.47) TBXA2RS1PR1S1PR5

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.