SCHEMBL5774572

SCHEMBL5774572

CS(=O)(=O)c1cc(F)cc2cc3n(c12)C(CC(=O)O)CC3

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 15/20 0.44
TBXA2R P21731 12/20 0.44
PDE2A O00408 7/20 0.44
PDE4A P27815 1/20 0.44
TSPO P30536 1/20 0.44
PTGER1 P34995 1/20 0.44
DRD3 P35462 1/20 0.44
PTGFR P43088 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PTGIR P43119 1/20 0.44
PDE4D Q08499 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL5775908 1.00 PTGDR (0.44) PTGDRTBXA2RPDE2APDE4ATSPO
SCHEMBL5778075 0.88 GRIN2D (0.39) PTGDRTBXA2RPDE2APDE4ATSPO
SCHEMBL5776227 0.84 PDE2A (0.34) PTGDRTBXA2RPDE2APDE4ATSPO
SCHEMBL5777134 0.83 FFAR4 (0.35) PTGDRTBXA2RPDE2A
SCHEMBL2926752 0.83 GRIN2D (0.36) PTGDRTBXA2RPDE2APDE4ATSPO
SCHEMBL5776905 0.81 PTGDR (0.42) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL5778024 0.81 GRIN2D (0.41) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL5776746 0.81 GRIN2D (0.41) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL5779249 0.80 TBXA2R (0.38) PTGDRTBXA2RPDE2A
SCHEMBL5776344 0.80 TBXA2R (0.38) PTGDRTBXA2RPDE2A

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 PTGDR 1/4885TBXA2R 22/4885PDE2A 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.