SCHEMBL2189608

SCHEMBL2189608

CCN(C(=O)C1(c2ccc(F)cc2)CC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1.CN(C(=O)C1CC1c1ccncc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.68
CYP3A4 P08684 1/20 0.64
PTGDR Q13258 2/20 0.51
TBXA2R P21731 1/20 0.51

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
SCHEMBL2188596 0.86 PTGDR2 (0.81) PTGDR2CYP3A4PTGDRTBXA2R
SCHEMBL12417126 0.86 PTGDR2 (0.67) PTGDR2PTGDR
SCHEMBL2187260 0.82 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRTBXA2R
SCHEMBL2189353 0.79 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRTBXA2R
SCHEMBL2188929 0.79 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRTBXA2R
SCHEMBL2188220 0.79 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRTBXA2R
SCHEMBL2189611 0.75 PTGDR2 (0.38) PTGDR2CYP3A4PTGDR
SCHEMBL2189607 0.73 PTGDR2 (0.79) PTGDR2CYP3A4PTGDRTBXA2R
SCHEMBL2192820 0.72 PTGDR2 (0.84) PTGDR2CYP3A4PTGDRTBXA2R
SCHEMBL13463641 0.72 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRTBXA2R

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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US claimed

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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885CYP3A4 2051/4885PTGDR 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.