SCHEMBL6202053

SCHEMBL6202053

CCOC(=O)C1(C(=O)OCC)CCCN1c1ccc(Oc2ccc(-c3nc(-c4cccc(C#N)c4)co3)cc2)nc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.72
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
F2R P25116 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
SCN9A Q15858 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
SCHEMBL6202656 0.92 MMP13 (0.70) MMP13HRH2HRH1HRH3
SCHEMBL6202993 0.89 MMP13 (0.71) MMP13F2RHRH3
SCHEMBL6202020 0.85 MMP13 (0.69) MMP13HRH3SCN9A
SCHEMBL6203134 0.84 MMP13 (1.00) MMP13
SCHEMBL6203190 0.83 MMP13 (0.70) MMP13F2RHRH3SCN9A
SCHEMBL6327815 0.83 MMP13 (0.52) MMP13HRH2HRH1HRH3
SCHEMBL6208641 0.75 MMP13 (0.44) MMP13SCN9A
SCHEMBL6203744 0.75 MMP13 (1.00) MMP13
SCHEMBL6203076 0.75 MMP13 (1.00) MMP13
SCHEMBL6204333 0.75 MMP13 (0.48) 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
EP-1501834-B1 TRIARYL-OXY-ARYL-SPIRO-PYRIMIDINE-2, 4, 6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-09-07 EP disclosed
US-6916807-B2 Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-07-12 US disclosed
EP-1501834-A1 TRIARYL-OXY-ARYL-SPIRO-PYRIMIDINE-2, 4, 6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
US-20030225056-A1 Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-12-04 US disclosed
WO-2003091259-A1 TRIARYL-OXY-ARYL-SPIRO-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-20030225056-A1 Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP8 MMP13 15/4885HRH2 2550/4885HRH1 3542/4885

“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.