SCHEMBL508765

SCHEMBL508765

CCc1nn(Cc2ccc([N+](=O)[O-])cc2)c(CC)c1CC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.51

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
SCHEMBL12466759 0.88 PTGDR2 (0.52) PTGDR2
SCHEMBL508293 0.85 PTGDR2 (0.54) PTGDR2
SCHEMBL508120 0.85 PTGDR2 (0.54) PTGDR2
SCHEMBL508865 0.84 PTGDR2 (0.56) PTGDR2
SCHEMBL508103 0.82 PTGDR2 (0.51) PTGDR2
SCHEMBL509016 0.80 PTGDR2 (0.40) PTGDR2
SCHEMBL28384554 0.80 PTGDR2 (0.44) PTGDR2
SCHEMBL31395703 0.76 PTGDR2 (0.43) PTGDR2
SCHEMBL28807601 0.75 BCL9 (0.51) PTGDR2
SCHEMBL10996751 0.74 MAPT (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 PTGDR2 29/4885

“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.