SCHEMBL6328134

SCHEMBL6328134

C=Cc1ccc(Oc2ccc(N3CCCC3(C(=O)OCC)C(=O)OCC)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.46
KDM4E B2RXH2 1/20 0.38
SCN9A Q15858 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
P2RX3 P56373 1/20 0.34
LIPE Q05469 1/20 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
SCHEMBL6326034 0.91 KDM4E (0.46) MMP13KDM4ESCN9ANPC1RAB9A
SCHEMBL6204333 0.87 MMP13 (0.48) MMP13SCN9AHRH3LIPE
SCHEMBL6328225 0.87 MMP13 (0.60) MMP13SCN9AHRH3LIPE
SCHEMBL6327815 0.85 MMP13 (0.52) MMP13KDM4EHRH3P2RX3
SCHEMBL6211896 0.79 MMP13 (0.41) MMP13SCN9A
SCHEMBL6325130 0.79 MMP13 (0.41) MMP13SCN9AMAPTHTT
SCHEMBL6202020 0.77 MMP13 (0.69) MMP13SCN9AHRH3MAPT
SCHEMBL6210890 0.76 MMP13 (0.47) MMP13
SCHEMBL6202656 0.76 MMP13 (0.70) MMP13KDM4EHRH3P2RX3
SCHEMBL6203190 0.75 MMP13 (0.70) MMP13KDM4ESCN9ANPC1RAB9A

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 39/4885KDM4E 2789/4885SCN9A 4231/4885
US-20050159413-A1 Spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP8 MMP13 34/4885KDM4E 2594/4885SCN9A 4202/4885

“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.