SCHEMBL6326845

SCHEMBL6326845

O=C1NC(=O)C2(CCCC(=O)N2c2ccc(Oc3ccc(CNC(=O)N4CCC4)cc3)nc2)C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.65
MMP2 P08253 5/20 0.44
MMP3 P08254 5/20 0.44
MMP9 P14780 5/20 0.44
OPRM1 P35372 1/20 0.40

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
SCHEMBL6323539 0.96 MMP13 (0.63) MMP13MMP2MMP3MMP9
SCHEMBL6326831 0.89 MMP13 (0.68) MMP13MMP2MMP3MMP9
SCHEMBL6326752 0.89 MMP13 (0.51) MMP13MMP2MMP3MMP9OPRM1
SCHEMBL6328283 0.87 MMP13 (0.65) MMP13OPRM1
SCHEMBL6327650 0.87 MMP13 (0.62) MMP13OPRM1
SCHEMBL6324220 0.85 MMP13 (0.45) MMP13MMP2MMP9OPRM1
SCHEMBL6331164 0.85 MMP13 (0.45) MMP13OPRM1
SCHEMBL6326016 0.85 MMP13 (0.64) MMP13OPRM1
SCHEMBL6324191 0.85 MMP13 (0.59) MMP13OPRM1
SCHEMBL6327554 0.84 MMP13 (0.67) MMP13MMP2MMP3MMP9

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 3 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
US-20030096803-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-05-22 US 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 39/4885MMP2 3/4885MMP3 4/4885
US-20050159413-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP8 MMP13 34/4885MMP2 4/4885MMP3 6/4885

“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.