SCHEMBL8100241

SCHEMBL8100241

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 6/20 0.70
ERAP2 Q6P179 6/20 0.70
ERAP1 Q9NZ08 5/20 0.70
NMBR P28336 2/20 0.70
REN P00797 1/20 0.65
MAPT P10636 2/20 0.65
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
CTSB P07858 1/20 0.64
CTSK P43235 1/20 0.64

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
SCHEMBL12052771 0.94 NMBR (0.71) IL1RNERAP2ERAP1NMBRREN
SCHEMBL12052806 0.94 NMBR (0.71) IL1RNERAP2ERAP1NMBRREN
SCHEMBL14595064 0.93 NMBR (0.74) IL1RNERAP2ERAP1NMBRREN
SCHEMBL5380441 0.93 NMBR (0.74) IL1RNERAP2ERAP1NMBRREN
SCHEMBL11981434 0.92 NMBR (0.69) IL1RNERAP2ERAP1NMBRREN
SCHEMBL8019332 0.92 NMBR (0.71) IL1RNERAP2ERAP1NMBRREN
SCHEMBL7275505 0.92 NMBR (0.74) IL1RNERAP2ERAP1NMBRREN
SCHEMBL16617130 0.92 NMBR (0.71) NMBRRENMAPTLMNAGAA
SCHEMBL11765479 0.92 NMBR (0.71) NMBRRENMAPTLMNAGAA
SCHEMBL5380023 0.92 NMBR (0.71) NMBRRENMAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 US 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 (1 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-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 IL1RN 887/4885ERAP2 64/4885ERAP1 22/4885

“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.