SCHEMBL13402108

SCHEMBL13402108

CNC(=O)[C@H](C)NC(=O)[C@H](C)NC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
MMP1 P03956 1/20 0.33
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
MMP9 P14780 3/20 0.31
MMP8 P22894 3/20 0.31
FFAR2 O15552 1/20 0.31
MMP2 P08253 2/20 0.30

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
SCHEMBL21153239 1.00 XIAP (0.38) XIAPBIRC2MMP1MMEACE
SCHEMBL14076482 1.00 XIAP (0.38) XIAPBIRC2MMP1MMEACE
SCHEMBL6850696 0.89
SCHEMBL8260827 0.89
SCHEMBL8260376 0.89
SCHEMBL26740055 0.86 XIAP (0.32) XIAPBIRC2
SCHEMBL13337074 0.85 GAA (0.33) MMP1MMEACECPA1ACE2
SCHEMBL19934873 0.83 ACE (0.43) XIAPBIRC2MMP1MMEACE
SCHEMBL23142756 0.83 MME (0.47) MMEACECPA1ACE2
SCHEMBL22475286 0.83 MME (0.47) MMEACECPA1ACE2

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
EP-2922829-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-08-11 EP disclosed
US-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 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-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation EPOR, LIFR, LNPEP XIAP 1223/4885BIRC2 4469/4885MMP1 2987/4885

“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.