SCHEMBL8268653

SCHEMBL8268653

CCCCOc1c(C(=O)NCc2ccc(-c3ccccc3)cc2)oc(C)cc1=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.70
MMP2 P08253 6/20 0.70
MMP1 P03956 6/20 0.70
MMP7 P09237 4/20 0.70
MMP9 P14780 4/20 0.70
MMP8 P22894 4/20 0.70
MMP13 P45452 4/20 0.70
MMP12 P39900 3/20 0.70
MYC P01106 1/20 0.52
WDR5 P61964 1/20 0.52
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14269135 0.88 MMP3 (0.57) MMP3MMP2MMP1MMP7MMP9
SCHEMBL13226432 0.88 MMP3 (0.57) MMP3MMP2MMP1MMP7MMP9
SCHEMBL2984201 0.88 MMP3 (0.72) MMP3MMP2MMP1MMP7MMP9
SCHEMBL8268658 0.82 MMP3 (1.00) MMP3MMP2MMP1MMP7MMP9
SCHEMBL13208686 0.82 MMP3 (1.00) MMP3MMP2MMP1MMP7MMP9
SCHEMBL16802797 0.81 MMP3 (0.80) MMP3MMP2MMP1MMP7MMP9
SCHEMBL16802791 0.81 MMP3 (0.80) MMP3MMP2MMP1MMP7MMP9
SCHEMBL14640654 0.80 ALDH1A1 (0.46) MMP3MMP2MMP1MMP7MMP9
SCHEMBL13208646 0.78 MMP3 (0.59) MMP3MMP2MMP1MMP7MMP9
SCHEMBL14260034 0.78 MMP3 (0.59) MMP3MMP2MMP1MMP7MMP9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318945-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120041032-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2012-02-16 US disclosed
US-8008510-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 US disclosed
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 US disclosed
US-7705164-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-27 US disclosed
US-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 US disclosed
WO-2006028523-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO USDC Technology Transfer Office (US) 2006-03-16 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 (3 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-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 MMP3 50/4885MMP2 21/4885MMP1 9/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MMP3 50/4885MMP2 21/4885MMP1 9/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MMP3 50/4885MMP2 21/4885MMP1 9/4885

“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.