SCHEMBL8098291

SCHEMBL8098291

C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.69
ECE1 P42892 5/20 0.67
MME P08473 3/20 0.67
MAPT P10636 2/20 0.66
GAA P10253 1/20 0.66
HTT P42858 1/20 0.66
ACE P12821 3/20 0.66
LMNA P02545 1/20 0.64
REN P00797 1/20 0.62
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP14 P50281 1/20 0.61

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
SCHEMBL12062839 1.00 NMBR (0.69) NMBRECE1MMEMAPTGAA
SCHEMBL12052816 1.00 NMBR (0.69) NMBRECE1MMEMAPTGAA
SCHEMBL5380211 1.00 NMBR (0.69) NMBRECE1MMEMAPTGAA
SCHEMBL12052755 1.00 NMBR (0.69) NMBRECE1MMEMAPTGAA
SCHEMBL8403999 1.00 NMBR (0.69) NMBRECE1MMEMAPTGAA
SCHEMBL14595066 0.91 NMBR (0.76) NMBRECE1MMEMAPTGAA
SCHEMBL29386277 0.91 NMBR (0.76) NMBRECE1MMEMAPTGAA
SCHEMBL3808330 0.91 NMBR (0.76) NMBRECE1MMEMAPTGAA
SCHEMBL29401760 0.91 NMBR (0.76) NMBRECE1MMEMAPTGAA
SCHEMBL1285921 0.91 NMBR (0.76) NMBRECE1MMEMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657058-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2017-05-23 US disclosed
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2015-12-10 US disclosed
US-8765745-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-07-01 US disclosed
US-8735441-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-03-20 US disclosed
US-8431571-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20130053303-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-28 US disclosed
US-20130035297-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-07 US disclosed
US-8080576-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 US disclosed
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 US disclosed
WO-2007149512-A2 PEPTIDE EPOXYKETONES FOR PR0TEAS0ME INHIBITION PROTEOLIX, INC. (US) 2007-12-27 WO disclosed
US-20070293465-A1 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2007-12-20 US 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 (6 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-20130053303-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 NMBR 4028/4885ECE1 250/4885MME 75/4885
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 NMBR 4028/4885ECE1 250/4885MME 75/4885
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 NMBR 4028/4885ECE1 250/4885MME 75/4885
US-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 NMBR 4028/4885ECE1 250/4885MME 75/4885
US-20130035297-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 NMBR 4028/4885ECE1 250/4885MME 75/4885
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 NMBR 4028/4885ECE1 250/4885MME 75/4885

“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.