SCHEMBL25508405

SCHEMBL25508405

C=CCCC(CCCCCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(CC=C)C(=O)NC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.45
MMP3 P08254 8/20 0.39
MMP9 P14780 4/20 0.39
SELE P16581 2/20 0.35
SELL P14151 2/20 0.35
SELP P16109 2/20 0.35
MMP2 P08253 9/20 0.35
MMP1 P03956 5/20 0.35

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
SCHEMBL23849114 0.96 BIRC2 (0.45) BIRC2MMP3MMP9SELESELL
SCHEMBL23833843 0.90 PLA2G2A (0.43) BIRC2MMP3MMP9MMP2MMP1
SCHEMBL23833842 0.90 PLA2G2A (0.43) BIRC2MMP3MMP9MMP2MMP1
SCHEMBL25508499 0.89 BIRC2 (0.43) BIRC2MMP3MMP9SELLSELP
SCHEMBL25508399 0.89 BIRC2 (0.38) BIRC2MMP3MMP9MMP1
SCHEMBL25508328 0.87 BIRC2 (0.38) BIRC2MMP3MMP9MMP1
SCHEMBL23834175 0.86 PLA2G2A (0.43) BIRC2MMP3MMP9MMP2MMP1
SCHEMBL23834176 0.86 PLA2G2A (0.43) BIRC2MMP3MMP9MMP2MMP1
SCHEMBL25508578 0.85 BIRC2 (0.43) BIRC2MMP3MMP9MMP1
SCHEMBL25508478 0.85 BIRC2 (0.43) BIRC2MMP3MMP9SELLSELP

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 2 patents. 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
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 BIRC2 3019/4885MMP3 1450/4885MMP9 697/4885

“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.