SCHEMBL5557532

SCHEMBL5557532

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.49
CTSS P25774 6/20 0.46
CTSK P43235 6/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
BACE1 P56817 4/20 0.43
CAPN1 P07384 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
APP P05067 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL5558796 0.83 NPY4R (0.42) CTSK
SCHEMBL5686114 0.83 CTSS (0.63) RENCTSSCTSKCTSLCTSB
SCHEMBL5552333 0.81 PPID (0.40)
SCHEMBL5556890 0.79 REN (0.56) RENCTSSCTSKCAPN1APP
SCHEMBL15084091 0.75 CTSS (0.58) RENCTSSCTSKCTSLCTSB
SCHEMBL16935721 0.75 CTSS (0.58) RENCTSSCTSKCTSLCTSB
SCHEMBL18930696 0.75 CTSS (0.58) RENCTSSCTSKCTSLCTSB
SCHEMBL5552792 0.75 REN (0.53) RENCTSSCTSKCTSLCTSB
SCHEMBL25054026 0.74 CTSS (0.66) CTSSCTSKCTSLCTSBBACE1
SCHEMBL1329147 0.73 CTSS (0.56) CTSSCTSKCTSLCTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF REN 2033/4885CTSS 596/4885CTSK 306/4885

“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.