SCHEMBL5835835

SCHEMBL5835835

CC(C(=O)O)[C@H]1CCn2c1c(Sc1ccc(Br)cc1)c1c(Br)cc(F)cc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.60
PTGDR Q13258 5/20 0.46
PDE2A O00408 3/20 0.46
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
SCHEMBL5837002 0.93 TBXA2R (0.71) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5836698 0.91 TBXA2R (0.57) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5836050 0.85 TBXA2R (0.49) TBXA2RPTGDRPDE2A
SCHEMBL5835634 0.81 TBXA2R (0.56) TBXA2RPTGDRPTGDR2
SCHEMBL5834981 0.81 TBXA2R (0.56) TBXA2RPTGDRPTGDR2
SCHEMBL5835366 0.79 TBXA2R (0.44) TBXA2RPTGDRPDE2A
SCHEMBL5836349 0.76 TBXA2R (0.78) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5773893 0.75 TBXA2R (1.00) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5777801 0.74 TBXA2R (0.71) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5834967 0.70 TBXA2R (0.38) 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
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
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.