SCHEMBL5836631

SCHEMBL5836631

O=C1NC(=O)C(Br)(CCOCc2ccccc2)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MMP2 P08253 5/20 0.47
MMP9 P14780 5/20 0.47
MMP3 P08254 1/20 0.47
MMP13 P45452 5/20 0.43
TSHR P16473 1/20 0.42
PPARG P37231 2/20 0.42
MMP8 P22894 3/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MMP14 P50281 1/20 0.38
NAAA Q02083 1/20 0.36

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
SCHEMBL7475063 0.74 MMP9 (0.50) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL14783070 0.74 MMP9 (0.66) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL943419 0.73 ALDH1A1 (0.57) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL14788914 0.73 MMP2 (0.62) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL14782934 0.72 MMP9 (0.59) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL21439103 0.71 TSHR (0.50) ALDH1A1TSHRNAAA
SCHEMBL5836429 0.70 ALDH1A1 (0.48) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL13599966 0.70 ALDH1A1 (0.58) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL1991359 0.69 TSHR (0.78) TSHRHRH4HRH3NAAA
SCHEMBL9047819 0.68 ALDH1A1 (0.56) ALDH1A1MMP2MMP9MMP3MMP13

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
US-7119201-B2 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC (US) 2006-10-10 US disclosed
EP-1501515-B1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-02 EP disclosed
EP-1501515-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
US-20040006057-A1 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER PRODUCTS INC. 2004-01-08 US disclosed
WO-2003090752-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 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-20040006057-A1 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP8, MMP9, MMP1 ALDH1A1 300/4885MMP2 6/4885MMP9 2/4885

“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.