SCHEMBL30420722

SCHEMBL30420722

CNC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CTSK P43235 10/20 0.42
CTSS P25774 5/20 0.42
KLK5 Q9Y337 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CAPN1 P07384 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ACE P12821 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL23849012 1.00 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL25507234 0.92 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL23849249 0.88 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL23834342 0.86 PPARA (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL23833901 0.86 PPARA (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13076509 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL1317487 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL2306568 0.84 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL2225458 0.84 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL14649972 0.84 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK

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 CYP1A2 4091/4885CYP2C9 2033/4885CYP2C19 2982/4885

“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.