SCHEMBL3308377

SCHEMBL3308377

CNC(=O)c1occc(=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.51
MMP1 P03956 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
APP P05067 3/20 0.36
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.33
FTO Q9C0B1 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL13226423 0.80 ALOX5 (0.48) MMP3MMP1MMP7MMP9MMP8
SCHEMBL25332706 0.79 KDM4E (0.55) MMP3MMP1MMP7MMP9MMP8
SCHEMBL23879789 0.78 MMP3 (0.56) MMP3MMP1MMP7MMP9MMP8
SCHEMBL289813 0.76 KDM4E (0.52) MMP3MMP1MMP7MMP9MMP8
SCHEMBL13395921 0.75 MMP3 (0.56) MMP3MMP1MMP7MMP9MMP8
SCHEMBL13947098 0.75 KDM4E (0.50) MMP3MMP1MMP7MMP9MMP8
SCHEMBL353101 0.75 KDM4E (0.62) KDM4EALDH1A1MAPTTHRBGAA
SCHEMBL23879802 0.74 KDM4E (0.50) MMP3MMP1MMP7MMP9MMP8
SCHEMBL23879785 0.74 KDM4E (0.50) MMP3MMP1MMP7MMP9MMP8
SCHEMBL9510452 0.74 KDM4E (0.38) KDM4EALDH1A1MAPTTHRBHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
WO-2017156194-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-14 WO disclosed
US-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 US disclosed
US-20100098640-A1 Multidentate Pyrone-Derived Chelators for Medicinal Imaging and Chelation REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2010-04-22 US disclosed
US-20090286987-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2009-11-19 US disclosed
US-7579486-B2 Metalloprotein inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2009-08-25 US disclosed
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 US disclosed
WO-2007002109-A2 MULTIDENTATE PYRONE-DERIVED CHELATORS FOR MEDICINAL IMAGING AND CHELATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-04 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 (5 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-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE POLRMT, RNASE1, POLM MMP3 161/4885MMP1 89/4885MMP7 275/4885
US-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MMP3 50/4885MMP1 9/4885MMP7 26/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MMP3 50/4885MMP1 9/4885MMP7 26/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM MMP3 161/4885MMP1 89/4885MMP7 275/4885
US-20100098640-A1 Multidentate Pyrone-Derived Chelators for Medicinal Imaging and Chelation DNM1, BET1, FOLH1 MMP3 1798/4885MMP1 1596/4885MMP7 821/4885

“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.