SCHEMBL17375358

SCHEMBL17375358

COC(=O)CC[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.54
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
SLC15A1 P46059 1/20 0.45
SLC7A5 Q01650 1/20 0.45
IDO1 P14902 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL12869912 1.00 LTA4H (0.54) LTA4HALDH1A1KDM4ELMNAMAPK1
SCHEMBL124386 0.89 ALDH1A1 (0.54) LTA4HALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL124384 0.89 ALDH1A1 (0.54) LTA4HALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL1918223 0.89 ALDH1A1 (0.54) LTA4HALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL17534790 0.88 LTA4H (0.60) LTA4HALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL17446697 0.88 LTA4H (0.60) LTA4HALDH1A1LMNAMAPK1L3MBTL1
Acetic Acid SCHEMBL27602909 0.88 ALDH1A1 (0.51) LTA4HALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL15896070 0.88 LTA4H (0.60) LTA4HALDH1A1LMNAMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL5274239 0.88 ALDH1A1 (0.53) LTA4HALDH1A1LMNAMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL19839422 0.88 ALDH1A1 (0.53) LTA4HALDH1A1LMNAMAPK1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
US-9556119-B2 Process for preparing desmosine, isodesmosine, and derivatives thereof SOPHIA SCHOOL CORPORATION (JP) 2017-01-31 US disclosed
US-20150376127-A1 PROCESS FOR PREPARING DESMOSINE, ISODESMOSINE, AND DERIVATIVES THEREOF SOPHIA SCHOOL CORPORATION (JP) 2015-12-31 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 (2 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-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF BCAT2, BCAT1, AARS1 LTA4H 1293/4885ALDH1A1 3622/4885KDM4E 2001/4885
US-20150376127-A1 PROCESS FOR PREPARING DESMOSINE, ISODESMOSINE, AND DERIVATIVES THEREOF SI, SMS, SRM LTA4H 3935/4885ALDH1A1 1947/4885KDM4E 189/4885

“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.