SCHEMBL3568010

SCHEMBL3568010

CCOC(=O)Cc1c(C)c(Sc2ccc(S(C)(=O)=O)cc2)n2cc(F)c(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.47
PTGS2 P35354 4/20 0.38
PTGS1 P23219 1/20 0.38
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2770310 0.89 PTGDR2 (0.54) PTGDR2PTGS2PTGS1HSP90AA1
SCHEMBL3569757 0.89 PTGDR2 (0.59) PTGDR2
SCHEMBL2770749 0.89 PTGDR2 (0.42) PTGDR2PTGS2PTGS1
SCHEMBL3564308 0.87 PTGS2 (0.40) PTGDR2PTGS2PTGS1ALDH1A1
SCHEMBL2770081 0.81 PTGDR2 (0.46) PTGDR2PTGS2PTGS1ALDH1A1
SCHEMBL2769893 0.81 PTGDR2 (0.44) PTGDR2PTGS2PTGS1ALDH1A1
SCHEMBL2774837 0.80 PTGDR2 (0.40) PTGDR2PTGS2PTGS1ALDH1A1
SCHEMBL2772075 0.80 PTGDR2 (0.38) PTGDR2PTGS2PTGS1ALDH1A1
SCHEMBL2769682 0.79 L3MBTL1 (0.41) PTGDR2PTGS2PTGS1ALDH1A1
SCHEMBL2771396 0.79 PTGDR2 (0.50) PTGDR2PTGS2PTGS1ALDH1A1

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-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 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-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 PTGDR2 167/4885PTGS2 426/4885PTGS1 1072/4885

“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.