SCHEMBL6208380

SCHEMBL6208380

CCOC(=O)C1(C(=O)OCC)CCCN1c1ccc(Oc2ccc3c(cnn3-c3cccnc3)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.41
SCN9A Q15858 3/20 0.38
CYP11B2 P19099 1/20 0.38
MMP13 P45452 5/20 0.37
NR3C1 P04150 2/20 0.36
MAPK1 P28482 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.34

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
SCHEMBL6210890 0.88 MMP13 (0.47) SMOMMP13NR3C1
SCHEMBL6208641 0.86 MMP13 (0.44) SMOSCN9AMMP13NR3C1
SCHEMBL6211896 0.86 MMP13 (0.41) SCN9AMMP13OPRM1OPRD1
SCHEMBL6208246 0.81 MMP13 (0.59) SMOSCN9ACYP11B2MMP13NR3C1
SCHEMBL6328225 0.77 MMP13 (0.60) SCN9AMMP13
SCHEMBL6204333 0.77 MMP13 (0.48) SCN9AMMP13OPRM1
SCHEMBL6208908 0.76 SMO (0.48) SMOCYP11B2NR3C1MAPK1MAPT
SCHEMBL6326034 0.75 KDM4E (0.46) SCN9AMMP13
SCHEMBL6327815 0.74 MMP13 (0.52) MMP13
SCHEMBL6328134 0.74 MMP13 (0.46) SCN9AMMP13MAPT

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-1501833-B1 N-SUBSTITUTED-HETEROARYLOXY-ARYL-SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-02 EP disclosed
US-6900201-B2 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-05-31 US disclosed
EP-1501833-A1 N-SUBSTITUTED-HETEROARYLOXY-ARYL-SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
US-20040010141-A1 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2004-01-15 US disclosed
WO-2003091258-A1 N-SUBSTITUTED-HETEROARYLOXY-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-20040010141-A1 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, MMP8, MMP2 SMO 836/4885SCN9A 3935/4885CYP11B2 579/4885

“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.