SCHEMBL621015

SCHEMBL621015

O=C(Cn1cccc(O)c1=O)NOc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 5/20 0.55
▸ IL1RN P18510 3/20 0.55
▸ ERAP1 Q9NZ08 3/20 0.55
▸ EGLN1 Q9GZT9 2/20 0.42
▸ VEGFA P15692 1/20 0.42
▸ ELANE P08246 2/20 0.40
▸ MMP2 P08253 5/20 0.40
▸ MMP9 P14780 5/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL8268695 0.81 MEN1 (0.55) ERAP2IL1RNERAP1NPC1KDM4E
SCHEMBL621806 0.79 IL1RN (0.45) ERAP2IL1RNERAP1NPC1KDM4E
SCHEMBL8102285 0.77 ERAP2 (0.54) ERAP2IL1RNERAP1EGLN1VEGFA
SCHEMBL5179205 0.76 EGLN1 (0.53) ERAP2IL1RNERAP1EGLN1VEGFA
SCHEMBL10966257 0.75 ERAP2 (0.63) ERAP2IL1RNERAP1EGLN1VEGFA
SCHEMBL8268679 0.75 ERAP2 (0.66) ERAP2IL1RNERAP1NPC1RAB9A
SCHEMBL8102037 0.75 ERAP2 (0.59) ERAP2IL1RNERAP1EGLN1VEGFA
SCHEMBL8102665 0.74 KDM4E (0.50) ERAP2IL1RNERAP1EGLN1VEGFA
SCHEMBL9513063 0.74 ERAP2 (0.64) ERAP2IL1RNERAP1EGLN1VEGFA
SCHEMBL9511617 0.74 ERAP2 (0.64) ERAP2IL1RNERAP1EGLN1VEGFA

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 12 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-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-7705164-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-27 — — 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-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 — — US disclosed
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 — — US disclosed
EP-1755586-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS The Regents of the University of California (US) 2007-02-28 — — EP 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 (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-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ERAP2 1068/4885IL1RN 948/4885ERAP1 314/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 ERAP2 1068/4885IL1RN 948/4885ERAP1 314/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ERAP2 1068/4885IL1RN 948/4885ERAP1 314/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ERAP2 1068/4885IL1RN 948/4885ERAP1 314/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ERAP2 1068/4885IL1RN 948/4885ERAP1 314/4885

“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.

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