SCHEMBL6202656

SCHEMBL6202656

CCOC(=O)C1(C(=O)OCC)CCCN1c1ccc(Oc2ccc(-c3nc(-c4ccc(C#N)cc4)co3)cc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.70
KDM4E B2RXH2 1/20 0.37
P2RX3 P56373 2/20 0.37
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL6202053 0.92 MMP13 (0.72) MMP13HRH2HRH1HRH3
SCHEMBL6202020 0.90 MMP13 (0.69) MMP13HRH3
SCHEMBL6327815 0.89 MMP13 (0.52) MMP13KDM4EP2RX3HRH2HRH1
SCHEMBL6202993 0.85 MMP13 (0.71) MMP13HRH3
SCHEMBL6203190 0.84 MMP13 (0.70) MMP13KDM4EHRH3
SCHEMBL6203076 0.82 MMP13 (1.00) MMP13
SCHEMBL6203744 0.82 MMP13 (1.00) MMP13
SCHEMBL6204082 0.80 MMP13 (0.95) MMP13
SCHEMBL6202403 0.80 MMP13 (0.94) MMP13
SCHEMBL6208641 0.80 MMP13 (0.44) MMP13KDM4EP2RX3

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 15/4885KDM4E 1998/4885P2RX3 808/4885

“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.