SCHEMBL5774776

SCHEMBL5774776

CS(=O)(=O)c1cc(F)cn2c3c(cc12)C(CC(=O)O)CCC3

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.46
TBXA2R P21731 13/20 0.45
PTGDR Q13258 12/20 0.45
PTGER1 P34995 2/20 0.42
PTGFR P43088 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL5778331 0.84 TBXA2R (0.38) PDE2ATBXA2RPTGDRPTGER1PTGFR
SCHEMBL5775918 0.82 PDE2A (0.41) PDE2ATBXA2RPTGDRPTGER1PTGFR
SCHEMBL6690980 0.72 TBXA2R (0.54) PDE2ATBXA2RPTGDRPTGER1PTGFR
SCHEMBL5774771 0.67 TBXA2R (0.56) PDE2ATBXA2RPTGDRPTGER1PTGFR
SCHEMBL253565 0.66 FFAR1 (0.41) PDE2ATBXA2RPTGDR
SCHEMBL1255659 0.66 PDE2A (0.55) PDE2ATBXA2RPTGDRPTGER1PTGFR
SCHEMBL1254584 0.66 PDE2A (0.55) PDE2ATBXA2RPTGDRPTGER1PTGFR
SCHEMBL5775903 0.64 TBXA2R (0.57) PDE2ATBXA2RPTGDRPTGER1PTGFR
SCHEMBL5774565 0.64 TBXA2R (0.57) PDE2ATBXA2RPTGDRPTGER1PTGFR
SCHEMBL8780415 0.62 KDM4C (0.54) TBXA2RPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE2A 554/4885TBXA2R 22/4885PTGDR 1/4885

“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.