SCHEMBL20206734

SCHEMBL20206734

CC(C)CNC(=O)CNC(=O)CCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 4/20 0.41
EPHX2 P34913 5/20 0.38
PSMB5 P28074 3/20 0.36
RECQL P46063 2/20 0.36
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 0.36
MLYCD O95822 1/20 0.35
MAPT P10636 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL16473882 0.93 CYP2D6 (0.46) CYP2D6CYP2C19HPGDEPHX2RECQL
SCHEMBL17660269 0.81 HPGD (0.50) CYP2D6CYP2C19HPGDEPHX2RECQL
SCHEMBL19818495 0.79 CYP2D6 (0.45) CYP2D6CYP2C19HPGDEPHX2PSMB5
SCHEMBL9153250 0.79 HPGD (0.47) CYP2D6CYP2C19HPGDEPHX2RECQL
SCHEMBL9162003 0.79 HPGD (0.47) CYP2D6CYP2C19HPGDEPHX2RECQL
SCHEMBL25760230 0.78 CYP2D6 (0.43) CYP2D6CYP2C19HPGDEPHX2PSMB5
SCHEMBL18965507 0.78 CYP2D6 (0.43) CYP2D6CYP2C19HPGDEPHX2RECQL
SCHEMBL20034806 0.77 EPHX2 (0.47) CYP2D6CYP2C19HPGDEPHX2RECQL
SCHEMBL24465646 0.77 RECQL (0.41) PSMB5RECQLMLYCD
SCHEMBL20805872 0.77 CYP2C19 (0.46) CYP2D6CYP2C19HPGDEPHX2RECQL

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-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2018-05-31 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 (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-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD CYP2D6 439/4885CYP2C19 370/4885HPGD 344/4885
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors PREP, VIP, PEPD CYP2D6 439/4885CYP2C19 370/4885HPGD 344/4885

“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.