SCHEMBL1757162

SCHEMBL1757162

Cc1ccc2c(c1)c(-c1nn(Cc3ccccc3)c(=O)c3ccccc13)c(C)n2CC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.67
ALDH1A1 P00352 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
RAB9A P51151 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
SCHEMBL1757148 0.88 PTGDR2 (0.84) PTGDR2RAB9A
SCHEMBL1757777 0.87 PTGDR2 (0.66) PTGDR2ALDH1A1
SCHEMBL1759181 0.82 PTGDR2 (0.63) PTGDR2
SCHEMBL1757156 0.82 PTGDR2 (0.45) PTGDR2ALDH1A1
SCHEMBL1757693 0.81 PTGDR2 (0.62) PTGDR2
SCHEMBL1757835 0.81 PTGDR2 (0.62) PTGDR2
SCHEMBL1757855 0.81 PTGDR2 (0.62) PTGDR2ALDH1A1
SCHEMBL1757478 0.81 PTGDR2 (0.46) PTGDR2ALDH1A1
SCHEMBL1759167 0.81 PTGDR2 (0.62) PTGDR2
SCHEMBL1757521 0.80 PTGDR2 (0.61) PTGDR2

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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 PTGDR2 13/4885ALDH1A1 1069/4885PDE4A 1881/4885

“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.