SCHEMBL23833982

SCHEMBL23833982

N[C@@H](CCC(=O)N1CCOCc2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 4/20 0.47
NOTUM Q6P988 5/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41

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
Hydrochloric Acid SCHEMBL23833985 0.99 ALDH1A1 (0.48) ALDH1A1TSHRNOTUMMAPTKMT2A
Hydrochloric Acid SCHEMBL23834039 0.99 ALDH1A1 (0.48) ALDH1A1TSHRNOTUMMAPTKMT2A
Hydrochloric Acid SCHEMBL23833979 0.98 ALDH1A1 (0.47) ALDH1A1TSHRNOTUMMAPTKMT2A
SCHEMBL25508267 0.86 NOTUM (0.47) ALDH1A1TSHRNOTUMMAPTKMT2A
Hydrochloric Acid SCHEMBL30420089 0.85 NOTUM (0.46) ALDH1A1TSHRNOTUMMAPTKMT2A
SCHEMBL1769382 0.84 TSHR (0.68) ALDH1A1TSHRNOTUMMAPTKMT2A
SCHEMBL6563057 0.84 TSHR (0.68) ALDH1A1TSHRNOTUMMAPTKMT2A
SCHEMBL23834301 0.81 ALDH1A1 (0.58) ALDH1A1TSHRNOTUMMAPTKMT2A
SCHEMBL23834299 0.81 ALDH1A1 (0.58) ALDH1A1TSHRNOTUMMAPTKMT2A
Hydrochloric Acid SCHEMBL23834178 0.80 ALDH1A1 (0.57) ALDH1A1TSHRNOTUMMAPTKMT2A

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 ALDH1A1 3437/4885TSHR 4157/4885NOTUM 113/4885

“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.