SCHEMBL23325354

SCHEMBL23325354

CN[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)N(C)[C@@H](CC(C)C)C(=O)O[C@H](CCc1ccc(N2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.37
CTSK P43235 2/20 0.37
TMPRSS11D O60235 3/20 0.34
CTRL P40313 3/20 0.34
PSMB5 P28074 6/20 0.34
CTSB P07858 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
CYP3A7 P24462 2/20 0.34
CYP3A43 Q9HB55 2/20 0.34
PSMB9 P28065 2/20 0.34
ACACB O00763 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMD11 O00231 1/20 0.34
PSMD12 O00232 1/20 0.34
PSMD14 O00487 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMD3 O43242 1/20 0.34
PSMC3 P17980 1/20 0.34
PSMB1 P20618 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
SCHEMBL20979888 0.96 CTSL (0.40) CTSLCTSKCTSBACACBCTSS
SCHEMBL23295228 0.96 CTSL (0.40) CTSLCTSKCTSBACACBCTSS
SCHEMBL24297661 0.93 REN (0.36) CTSLCTSKPSMB5ACACBNAPEPLD
SCHEMBL19245058 0.93 REN (0.36) CTSLCTSKPSMB5ACACBNAPEPLD
SCHEMBL23323960 0.93 CTSL (0.40) CTSLCTSKCTSBACACBCTSS
SCHEMBL20979758 0.91 CTSL (0.41) CTSLCTSKCTSBACACBCTSS
SCHEMBL20979761 0.89 CTSL (0.39) CTSLCTSKCTSBACACBCTSS
SCHEMBL21266600 0.89 REN (0.34) CTSLCTSKCTSBACACBPSMB10
SCHEMBL24297640 0.89 REN (0.34) CTSLCTSKCTSBACACBPSMB10
SCHEMBL19066715 0.89 REN (0.38) CTSLCTSKPSMB5ACACBPSMB8

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 669/4885TMPRSS11D 1552/4885

“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.