SCHEMBL6328225

SCHEMBL6328225

CCOC(=O)C1(C(=O)OCC)CCCN1c1ccc(Oc2ccc(Br)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.60
HRH3 Q9Y5N1 1/20 0.38
SCN9A Q15858 3/20 0.36
LIPE Q05469 2/20 0.36
FPR2 P25090 2/20 0.35
PROKR1 Q8TCW9 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL6204333 0.90 MMP13 (0.48) MMP13HRH3SCN9ALIPEBCHE
SCHEMBL6326034 0.88 KDM4E (0.46) MMP13HRH3SCN9A
SCHEMBL6327815 0.87 MMP13 (0.52) MMP13HRH3
SCHEMBL6328134 0.87 MMP13 (0.46) MMP13HRH3SCN9ALIPE
SCHEMBL6211896 0.82 MMP13 (0.41) MMP13SCN9A
SCHEMBL6325130 0.81 MMP13 (0.41) MMP13SCN9A
SCHEMBL6202020 0.80 MMP13 (0.69) MMP13HRH3SCN9AFPR2
SCHEMBL6210890 0.78 MMP13 (0.47) MMP13
SCHEMBL6202656 0.78 MMP13 (0.70) MMP13HRH3
SCHEMBL6203190 0.77 MMP13 (0.70) MMP13HRH3SCN9A

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-20050159413-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors NOE MARK C (US) 2005-07-21 US disclosed
US-6841671-B2 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-01-11 US disclosed
EP-1332146-A2 SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2003-08-06 EP disclosed
US-20030096803-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-05-22 US disclosed
WO-2002034753-A2 SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-05-02 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 (2 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-20030096803-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP2 MMP13 39/4885HRH3 3926/4885SCN9A 4231/4885
US-20050159413-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP8 MMP13 34/4885HRH3 3955/4885SCN9A 4202/4885

“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.