SCHEMBL6326736

SCHEMBL6326736

CCOC(=O)C1(C(=O)OCC)CCC(=O)N1c1ccc(Oc2ccc(C(=O)NN)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.45
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
PDE4B Q07343 1/20 0.35
OPRM1 P35372 3/20 0.35
OPRK1 P41145 3/20 0.35
P2RX3 P56373 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
SCHEMBL6326727 0.91 MMP13 (0.46) MMP13MMP2MMP3MMP9HRH3
SCHEMBL6324181 0.88 MMP13 (0.47) MMP13MMP2MMP3MMP9P2RX3
SCHEMBL6325359 0.87 MMP13 (0.46) MMP13ACACBACACAOPRM1OPRK1
SCHEMBL6322842 0.86 MMP13 (0.46) MMP13ACACBACACAOPRM1OPRK1
SCHEMBL6330448 0.81 USP2 (0.42) MMP13MMP2POLBMEN1KMT2A
SCHEMBL6327769 0.81 MMP13 (0.41) MMP13POLBMEN1KMT2AOPRM1
SCHEMBL7231592 0.74 MMP2 (0.52) MMP13MMP2MMP3MMP9MEN1
SCHEMBL6723960 0.74 ALDH1A1 (0.50) POLBMEN1KMT2ALMNA
SCHEMBL6727304 0.72 ALDH1A1 (0.48) MEN1KMT2ALMNAOPRM1OPRK1
SCHEMBL6328225 0.71 MMP13 (0.60) MMP13HRH3

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 39/4885MMP2 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.