SCHEMBL2217038

SCHEMBL2217038

CC(C(=O)O)c1c2n(c3ncccc13)C[C@H](N(C)C(=O)[C@@H](C)c1ccc(F)cc1)CC2

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.76
PTGDR Q13258 2/20 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
SCHEMBL2219309 1.00 PTGDR2 (0.76) PTGDR2PTGDR
SCHEMBL2216584 0.93 PTGDR2 (0.65) PTGDR2
Acetic Acid SCHEMBL2321469 0.91 PTGDR2 (0.63) PTGDR2
SCHEMBL15518279 0.86 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL2215872 0.86 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL2214672 0.86 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL2216130 0.85 PTGDR2 (0.72) PTGDR2PTGDR
SCHEMBL2321464 0.83 PTGDR2 (0.59) PTGDR2
SCHEMBL2219305 0.81 PTGDR2 (0.53) PTGDR2PTGDR
SCHEMBL2214398 0.79 PTGDR2 (0.86) PTGDR2PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178115-A1 AZAINDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-21 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-20110178115-A1 AZAINDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885

“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.