SCHEMBL6326752

SCHEMBL6326752

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.51
OPRM1 P35372 1/20 0.40
MLLT1 Q03111 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL6327650 0.92 MMP13 (0.62) MMP13OPRM1MLLT1HRH3
SCHEMBL6323539 0.89 MMP13 (0.63) MMP13MMP2MMP3MMP9
SCHEMBL6326845 0.89 MMP13 (0.65) MMP13OPRM1MMP2MMP3MMP9
SCHEMBL6333651 0.88 MMP13 (0.55) MMP13OPRM1MMP2MMP3MMP9
SCHEMBL6328283 0.86 MMP13 (0.65) MMP13OPRM1MLLT1HRH3
SCHEMBL6324220 0.85 MMP13 (0.45) MMP13OPRM1MLLT1HRH3MMP2
SCHEMBL6326016 0.84 MMP13 (0.64) MMP13OPRM1MLLT1HRH3
SCHEMBL6324191 0.84 MMP13 (0.59) MMP13OPRM1MLLT1HRH3
SCHEMBL6331164 0.84 MMP13 (0.45) MMP13OPRM1MLLT1HRH3
SCHEMBL6324237 0.81 MMP13 (0.61) 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 39/4885OPRM1 4335/4885MLLT1 2882/4885
US-20050159413-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP8 MMP13 34/4885OPRM1 4411/4885MLLT1 2984/4885

“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.