Sugi Predict

Sugi Predict / Compounds / SCHEMBL23849249

SCHEMBL23849249

SCHEMBL23849249

CCOC(=O)[C@H](CCC(=O)NC)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CTSK P43235 5/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CAPN1 P07384 1/20 0.41
▸ NOD1 Q9Y239 2/20 0.39
▸ BCHE P06276 1/20 0.39

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
SCHEMBL25507234 0.90 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL30419721 0.89 CAPN1 (0.52) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL30420722 0.88 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL23849012 0.88 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14914482 0.85 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL21873981 0.85 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2463121 0.85 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721300 0.85 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721298 0.85 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2301394 0.85 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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 3 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
WO-2021188620-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. (US) 2021-09-23 — — WO 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.