SCHEMBL2187809

SCHEMBL2187809

CN(C(=O)[C@@](C)(O)c1ccccc1)[C@@H]1CCc2c(CC(=O)O)c3ccccn3c2C1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.59
PTGDR Q13258 6/20 0.59
CYP2C9 P11712 2/20 0.59
CYP3A4 P08684 1/20 0.42
TBXA2R P21731 1/20 0.38

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
SCHEMBL2188324 1.00 PTGDR2 (0.59) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2189439 0.86 PTGDR2 (0.69) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2188039 0.86 PTGDR2 (0.59) PTGDR2PTGDRCYP2C9CYP3A4
SCHEMBL2190719 0.85 PTGDR2 (0.61) PTGDR2PTGDRCYP2C9CYP3A4
SCHEMBL2186860 0.84 PTGDR2 (0.64) PTGDR2PTGDRCYP2C9CYP3A4
SCHEMBL2188018 0.83 PTGDR2 (0.63) PTGDR2PTGDRCYP2C9CYP3A4
SCHEMBL2183747 0.83 PTGDR2 (0.66) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2188345 0.82 PTGDR2 (0.62) PTGDR2PTGDRCYP2C9CYP3A4
SCHEMBL2190664 0.81 PTGDR2 (0.61) PTGDR2PTGDRCYP2C9CYP3A4
SCHEMBL2188991 0.81 PTGDR2 (0.61) PTGDR2PTGDRCYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US claimed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US claimed
EP-2346865-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2015-07-15 EP disclosed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885CYP2C9 1320/4885

“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.