SCHEMBL6325844

SCHEMBL6325844

CC(=O)NCc1ccc(Oc2ccc(N3C(=O)NC(=O)C34C(=O)NC(=O)NC4=O)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.48
ACACB O00763 6/20 0.39
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 2/20 0.38
ACACA Q13085 3/20 0.38
ALDH1A1 P00352 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
SCHEMBL6324220 0.86 MMP13 (0.45) MMP13OPRM1
SCHEMBL6323384 0.85 MMP13 (0.67) MMP13ACACBOPRM1OPRD1OPRK1
SCHEMBL6325865 0.84 MMP13 (0.52) MMP13
SCHEMBL6327554 0.84 MMP13 (0.67) MMP13
SCHEMBL6332792 0.84 MMP13 (0.47) MMP13ACACBOPRM1OPRD1OPRK1
SCHEMBL6333651 0.83 MMP13 (0.55) MMP13ACACBOPRM1OPRD1OPRK1
SCHEMBL6326831 0.83 MMP13 (0.68) MMP13ACACB
SCHEMBL6333055 0.81 MMP13 (0.67) MMP13ACACBOPRM1ACACA
SCHEMBL6327805 0.80 MMP13 (0.68) MMP13ACACBACACA
SCHEMBL6325828 0.79 MMP13 (0.61) MMP13ACACBACACA

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
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
EP-1332146-A2 SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2003-08-06 EP disclosed
US-20030096803-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-05-22 US disclosed
WO-2002034753-A2 SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-05-02 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 (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 39/4885ACACB 2464/4885OPRM1 4335/4885
US-20050159413-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP8 MMP13 34/4885ACACB 2290/4885OPRM1 4411/4885

“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.