SCHEMBL1757529

SCHEMBL1757529

Cc1c(-c2nn(Cc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(=O)O

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.83
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1757665 0.95 PTGDR2 (0.78) PTGDR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2206147 0.91 PTGDR2 (1.00) PTGDR2
SCHEMBL1757764 0.90 PTGDR2 (0.82) PTGDR2
SCHEMBL1757750 0.90 PTGDR2 (0.94) PTGDR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1757726 0.90 PTGDR2 (0.78) PTGDR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1757568 0.90 PTGDR2 (0.80) PTGDR2
SCHEMBL1757812 0.89 PTGDR2 (0.79) PTGDR2CYP2C9
SCHEMBL1757613 0.89 PTGDR2 (0.79) PTGDR2
SCHEMBL1757801 0.88 PTGDR2 (0.81) PTGDR2
SCHEMBL1757466 0.88 PTGDR2 (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO claimed
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 13/4885CYP1A2 879/4885CYP3A4 3537/4885

“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.