SCHEMBL25522005

SCHEMBL25522005

COC(=O)[C@@H](N)CCC(=O)NC1(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.56
ALDH1A1 P00352 1/20 0.44
ADRB2 P07550 1/20 0.44
HTT P42858 1/20 0.44
DPP4 P27487 1/20 0.41
ATM Q13315 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
SCHEMBL30174851 0.79 KLK5 (0.49)
SCHEMBL25526664 0.77 ALDH1A1 (0.48) LTA4HALDH1A1ADRB2HTT
SCHEMBL25516905 0.76 LTA4H (0.47) LTA4HATM
Hydrochloric Acid SCHEMBL30174817 0.75 LTA4H (0.47) LTA4HATM
SCHEMBL1718862 0.74 ADRB2 (0.56) ALDH1A1ADRB2HTTDPP4
SCHEMBL23849151 0.73 LTA4H (0.76) LTA4H
SCHEMBL1841055 0.72 LTA4H (0.53) LTA4HHTT
SCHEMBL5019109 0.72 LTA4H (0.53) LTA4HHTT
SCHEMBL276649 0.72 LTA4H (0.53) LTA4HHTT
SCHEMBL17534790 0.72 LTA4H (0.60) LTA4HALDH1A1

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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 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

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-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 LTA4H 1383/4885ALDH1A1 3437/4885ADRB2 4672/4885
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 LTA4H 3795/4885ALDH1A1 1895/4885ADRB2 2122/4885

“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.