SCHEMBL25519403

SCHEMBL25519403

CN[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
CPB2 Q96IY4 2/20 0.37
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
CACNA1B Q00975 2/20 0.36
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
FURIN P09958 1/20 0.34
PCSK6 P29122 1/20 0.34
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
CAPN1 P07384 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16556724 0.89 NMT2 (0.39) CTSKCPB2NMT2NMT1SIRT6
SCHEMBL17193584 0.88 SIRT6 (0.40) CTSKCPB2NMT2NMT1SIRT6
SCHEMBL9495080 0.86 FURIN (0.45) CTSKCPB2NMT2NMT1SIRT6
SCHEMBL9495059 0.86 FURIN (0.45) CTSKCPB2NMT2NMT1SIRT6
SCHEMBL24095650 0.86 SIRT6 (0.41) CTSKCPB2NMT2NMT1SIRT6
SCHEMBL23613615 0.85 CTSK (0.51) CTSK
SCHEMBL26334930 0.84 CAPN1 (0.39) CTSKCPB2NMT2NMT1CACNA1B
SCHEMBL20729832 0.84 CAPN1 (0.39) CTSKCPB2NMT2NMT1CACNA1B
SCHEMBL20756961 0.83 CTSK (0.56) CTSK
SCHEMBL16024736 0.83 CTSK (0.56) CTSK

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-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 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-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION ASNS, GLUL, GNMT CTSK 1842/4885CPB2 402/4885NMT2 92/4885

“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.