SCHEMBL23834366

SCHEMBL23834366

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCCc2ccccc2C1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.47
CTSK P43235 2/20 0.47
ACE P12821 2/20 0.45
PPARA Q07869 4/20 0.44
PPARG P37231 3/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARD Q03181 2/20 0.43
CXCR3 P49682 3/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL23834368 1.00 RIPK1 (0.47) RIPK1CTSKACEPPARAPPARG
SCHEMBL25508921 0.91 CTSK (0.47) RIPK1CTSKACEDPP8DPP9
SCHEMBL23834171 0.89 CTSK (0.48) CTSKACEPPARAPPARGPPARD
SCHEMBL23834169 0.89 CTSK (0.48) CTSKACEPPARAPPARGPPARD
SCHEMBL23833921 0.83 PIN1 (0.45) ACEPPARAPPARGDPP8DPP9
SCHEMBL23833924 0.83 PIN1 (0.45) ACEPPARAPPARGDPP8DPP9
Hydrochloric Acid SCHEMBL23834050 0.82 RIPK1 (0.48) RIPK1HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL21409319 0.81 CTSK (0.44) CTSKACEPPARAPPARGTSHR
SCHEMBL21409318 0.81 CTSK (0.44) CTSKACEPPARAPPARGTSHR
SCHEMBL23833928 0.81 CTSK (0.51) CTSKPPARAPPARGTSHR

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
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 RIPK1 1982/4885CTSK 1842/4885ACE 20/4885

“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.