SCHEMBL1757742

SCHEMBL1757742

Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2cc(S(C)(=O)=O)cc(F)c2n1CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.72
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 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
SCHEMBL1758187 0.91 PTGDR2 (0.65) PTGDR2ALDH1A1RAB9AAURKAAURKB
SCHEMBL1757821 0.89 PTGDR2 (0.77) PTGDR2ALDH1A1RAB9A
SCHEMBL1757882 0.89 PTGDR2 (0.77) PTGDR2ALDH1A1
SCHEMBL1757457 0.87 PTGDR2 (0.77) PTGDR2
SCHEMBL1757830 0.86 PTGDR2 (0.71) PTGDR2ALDH1A1
SCHEMBL1757724 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL1757970 0.83 PTGDR2 (0.62) PTGDR2
SCHEMBL1757687 0.82 PTGDR2 (0.75) PTGDR2ALDH1A1
SCHEMBL1757877 0.82 PTGDR2 (0.84) PTGDR2
SCHEMBL1757656 0.81 PTGDR2 (0.82) PTGDR2RAB9AAURKAAURKB

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 13/4885ALDH1A1 1069/4885RAB9A 2524/4885

“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.