SCHEMBL620077

SCHEMBL620077

O=C(Cn1cccc(OCc2ccccc2)c1=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.41
MAPK1 P28482 1/20 0.39
PTGER1 P34995 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
BRD4 O60885 1/20 0.37
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALPG P10696 1/20 0.36
PTK2B Q14289 1/20 0.36
SGMS2 Q8NHU3 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 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
SCHEMBL8271301 0.81 RORA (0.41) MAPTKDM4ENPC1HTTMEN1
SCHEMBL8100824 0.81 MAPK14 (0.49) MAPK14MAPK1PTGER1PTGER4PTGER3
SCHEMBL7314478 0.79 HTR1A (0.47) MAPK1PTGER1PTGER4PTGER3PTGER2
SCHEMBL20382946 0.79 MAPK14 (0.49) MAPK14MAPK1BRD4IL1RNERAP2
SCHEMBL8106275 0.76 IL1RN (0.49) MAPK14BRD4IL1RNERAP2ERAP1
SCHEMBL7323366 0.75 KMT2A (0.46) MAPK1PTGER4PTGER2BRD4ALDH1A1
SCHEMBL271730 0.74 MAPK14 (0.68) MAPK14MAPK1BRD4ALDH1A1MAPT
SCHEMBL8102567 0.74 BRD4 (0.54) MAPK14BRD4IL1RNERAP2ERAP1
SCHEMBL621806 0.74 IL1RN (0.45) MAPK14BRD4IL1RNERAP2ERAP1
SCHEMBL20382952 0.74 MAPK14 (0.47) MAPK14PTGER1PTGER4PTGER3PTGER2

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 31 patents — showing the first 20. 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-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-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-8008510-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 US disclosed
US-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 US disclosed
US-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 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-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 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
US-RE36831-E TREATMENT OF IRON DEFICIENCY ANEMIA BRITISH TECHNOLOGY GROUP LTD. (GB) 2000-08-22 US disclosed
US-RE35948-E TREATING TOXIC METAL CONCENTRATION BY ADMINISTERING N-SUBSTITUTED 3-HYDROXYPYRID-2-ONE OR 3-HYDROXYPYRID-4-ONE BRITISH TECHNOLOGY GROUP LTD. (GB) 1998-11-03 US disclosed
WO-1998025905-A2 THERAPEUTIC ANTIOXIDANTS FOR ALZHEIMER'S DISEASE CENES LIMITED (GB) 1998-06-18 WO disclosed
EP-0305646-A2 3-Hydroxypyrid-4-ones and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1989-03-08 EP disclosed
EP-0120670-B1 IRON III COMPLEXES OF HYDROXYPYRIDONES, AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-12-21 EP disclosed
US-4650793-A NITROGEN-SUBSTITUTED NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-03-17 US disclosed
US-4585780-A CHELATION OF HEAVY METALS IN BLOOD NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-04-29 US disclosed
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed
EP-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP 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-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MAPK14 4548/4885MAPK1 3587/4885PTGER1 2170/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MAPK14 4548/4885MAPK1 3587/4885PTGER1 2170/4885

“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.