SCHEMBL5957566

SCHEMBL5957566

O=C(NCc1ccccc1)c1cn2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.57
TRPA1 O75762 10/20 0.56
PPARG P37231 2/20 0.47
MTHFD2 P13995 1/20 0.44
EPHX2 P34913 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR2 P41597 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5957700 0.92 MMP13 (0.66) MMP13TRPA1MEN1KMT2A
SCHEMBL5957426 0.91 TRPA1 (0.67) MMP13TRPA1MEN1ALDH1A1KMT2A
SCHEMBL5957483 0.90 TRPA1 (0.53) MMP13TRPA1MTHFD2MEN1ALDH1A1
SCHEMBL5957801 0.89 MMP13 (0.47) MMP13TRPA1MTHFD2ALDH1A1CCR2
SCHEMBL5957667 0.88 TRPA1 (0.67) MMP13TRPA1MEN1ALDH1A1KMT2A
SCHEMBL5957520 0.86 TRPA1 (0.67) MMP13TRPA1ALDH1A1
Hydrochloric Acid SCHEMBL5957820 0.85 TRPA1 (0.66) MMP13TRPA1ALDH1A1
Hydrochloric Acid SCHEMBL5957599 0.85 TRPA1 (0.66) MMP13TRPA1ALDH1A1
SCHEMBL5957591 0.82 TRPA1 (0.84) TRPA1PPARGTP53MAPT
SCHEMBL5957605 0.79 TRPA1 (0.82) TRPA1PPARGMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 US claimed
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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 US disclosed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO 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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 MMP13 1/4885TRPA1 3405/4885PPARG 2693/4885

“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.