SCHEMBL12296233

SCHEMBL12296233

CC(C)(C)OC(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NC[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
KLK7 P49862 2/20 0.55
KLK5 Q9Y337 2/20 0.55
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.53
CTSS P25774 5/20 0.52
CTSL P07711 3/20 0.52
CTSK P43235 3/20 0.52
CTSB P07858 2/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
AKT1 P31749 1/20 0.48

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
SCHEMBL14320293 0.95 SYK (0.57) SYKKLK7KLK5MAPTATM
SCHEMBL14320294 0.95 SYK (0.57) SYKKLK7KLK5MAPTATM
SCHEMBL12294552 0.90 SYK (0.48) SYKKLK7KLK5MAPTATM
SCHEMBL4857149 0.87 MAPT (0.58) SYKKLK7KLK5MAPTCTSS
SCHEMBL2265883 0.87 SYK (0.54) SYKKLK7KLK5ATMCTSS
SCHEMBL2265891 0.87 SYK (0.54) SYKKLK7KLK5ATMCTSS
SCHEMBL16124431 0.86 MAPT (0.60) KLK7KLK5MAPTCTSSCTSL
SCHEMBL13289745 0.86 SYK (0.56) SYKKLK7KLK5MAPTCTSS
SCHEMBL5996732 0.85 CTSK (0.61) KLK7KLK5MAPTCTSSCTSL
SCHEMBL12667695 0.85 MAPT (0.59) KLK7KLK5MAPTCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329724-A1 PEPTIDE ANALOGUES PFIZER LIMITED 2012-12-27 US disclosed
WO-2011104649-A1 PEPTIDE ANALOGUES PFIZER LIMITED (GB) 2011-09-01 WO disclosed
US-20110207654-A1 PEPTIDE ANALOGUES PFIZER INC. 2011-08-25 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-20120329724-A1 PEPTIDE ANALOGUES OPRL1, OGFR, OPRM1 SYK 3794/4885KLK7 686/4885KLK5 825/4885
US-20110207654-A1 PEPTIDE ANALOGUES OPRL1, OGFR, OPRM1 SYK 3794/4885KLK7 686/4885KLK5 825/4885

“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.