SCHEMBL23323476

SCHEMBL23323476

CN[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(C)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.36
CTSK P43235 3/20 0.36
ACACB O00763 1/20 0.33
REN P00797 1/20 0.32
CTSS P25774 2/20 0.31
SYK P43405 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CTSB P07858 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4A O75164 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 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
SCHEMBL23295228 0.93 CTSL (0.40) CTSLCTSKACACBRENCTSS
SCHEMBL20979888 0.93 CTSL (0.40) CTSLCTSKACACBRENCTSS
SCHEMBL23323790 0.91 CTSL (0.33) CTSLCTSKACACBREN
SCHEMBL23323960 0.90 CTSL (0.40) CTSLCTSKACACBRENCTSS
SCHEMBL23325354 0.89 CTSL (0.37) CTSLCTSKACACBRENCTSS
SCHEMBL20979758 0.88 CTSL (0.41) CTSLCTSKACACBRENCTSS
SCHEMBL20979804 0.88 CTSL (0.37) CTSLCTSKACACBRENCTSS
SCHEMBL20979761 0.87 CTSL (0.39) CTSLCTSKACACBRENCTSS
SCHEMBL19066715 0.85 REN (0.38) CTSLCTSKACACBREN
SCHEMBL28772188 0.85 REN (0.38) CTSLCTSKACACBREN

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-20210130315-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-05-06 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-20210130315-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES DNPEP, NPEPPS, PREP CTSL 799/4885CTSK 669/4885ACACB 2067/4885

“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.