SCHEMBL1757752

SCHEMBL1757752

COc1ccc2c(c1)c(-c1nn(Cc3ccccc3)c(=O)c3ccccc13)c(C)n2CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.78
PLA2G1B P04054 1/20 0.52
PLA2G2A P14555 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49

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 0.89 PTGDR2 (0.84) PTGDR2
SCHEMBL2206147 0.88 PTGDR2 (1.00) PTGDR2
SCHEMBL1757692 0.88 PTGDR2 (1.00) PTGDR2
SCHEMBL1757689 0.88 PTGDR2 (1.00) PTGDR2ALDH1A1
SCHEMBL1757683 0.85 PTGDR2 (0.94) PTGDR2
SCHEMBL1757750 0.85 PTGDR2 (0.94) PTGDR2ALDH1A1
SCHEMBL1757457 0.85 PTGDR2 (0.77) PTGDR2
SCHEMBL1757779 0.84 PTGDR2 (0.57) PTGDR2
SCHEMBL1757171 0.84 PTGDR2 (0.81) PTGDR2
SCHEMBL1757808 0.84 PTGDR2 (0.91) 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 3 patents. 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 claimed
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
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 13/4885PLA2G1B 1932/4885PLA2G2A 1208/4885

“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.