SCHEMBL4975267

SCHEMBL4975267

CCc1ccc(OCC(=O)O)c(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 1.00
PTGS2 P35354 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
SCHEMBL1753560 0.84 PTGDR2 (0.80) PTGDR2
SCHEMBL6002464 0.81 PTGDR2 (0.68) PTGDR2
SCHEMBL1690301 0.81 PTGDR2 (1.00) PTGDR2
SCHEMBL2771386 0.80 PTGDR2 (0.66) PTGDR2PTGS2
SCHEMBL4973810 0.76 PTGDR2 (0.60) PTGDR2PTGS2
SCHEMBL1690319 0.75 PTGDR2 (0.74) PTGDR2
SCHEMBL1753557 0.75 PTGDR2 (1.00) PTGDR2
SCHEMBL14093024 0.75 PTGDR2 (0.58) PTGDR2
SCHEMBL4978523 0.74 PTGDR2 (0.72) PTGDR2
SCHEMBL4973803 0.74 PTGDR2 (0.58) PTGDR2PTGS2

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-20060211765-A1 Novel compounds ASTRAZENECA AB (SE) 2006-09-21 US claimed
EP-1636175-B1 PHENOXYACETIC ACID DERIVATIVES FOR TREATING RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-20060211765-A1 Novel compounds ASTRAZENECA AB (SE) 2006-09-21 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-20060211765-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885PTGS2 1070/4885

“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.