SCHEMBL6514529

SCHEMBL6514529

Cc1c(=O)n(Cc2ccc(S(C)(=O)=O)cc2)c(=O)n2cc(C(=O)O)sc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.59
PTGDR2 Q9Y5Y4 3/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
MAPK8 P45983 1/20 0.41

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
SCHEMBL6233188 0.90 TRPA1 (0.58) TRPA1
SCHEMBL6235332 0.86 TRPA1 (0.72) TRPA1
SCHEMBL5957285 0.86 TRPA1 (0.76) TRPA1
SCHEMBL6232753 0.86 TRPA1 (0.56) TRPA1
SCHEMBL6231949 0.85 TRPA1 (0.73) TRPA1
SCHEMBL6239555 0.85 TRPA1 (0.62) TRPA1ERCC5FEN1
SCHEMBL6234041 0.83 TRPA1 (0.59) TRPA1FEN1
SCHEMBL5957391 0.83 TRPA1 (0.59) TRPA1ERCC5FEN1
SCHEMBL6213790 0.82 TRPA1 (0.79) TRPA1
Hydrochloric Acid SCHEMBL5957281 0.81 TRPA1 (0.77) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 TRPA1 1279/4885PTGDR2 1123/4885ERCC5 4806/4885

“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.