SCHEMBL23623824

SCHEMBL23623824

CCC(=O)C(=N)C(=O)OCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.37
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SLC6A3 Q01959 2/20 0.33
▸ CYP51A1 Q16850 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ SFN P31947 1/20 0.32

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
SCHEMBL23623815 0.86 TP53 (0.36) PTGS2SCN1ASCN2ASCN3ACA1
SCHEMBL23623821 0.78 ELANE (0.32) SLC6A3
SCHEMBL13449655 0.77 ALDH1A1 (0.53) PTGS2SCN1ASCN2ASCN3ACA1
SCHEMBL23623804 0.76 HDAC8 (0.41) PTGS2SCN1ASCN2ASCN3ATP53
SCHEMBL16674090 0.74 ALDH1A1 (0.53) PTGS2SCN1ASCN2ASCN3ACA1
SCHEMBL15083519 0.74 CA1 (0.42) PTGS2SCN1ASCN2ASCN3ACA1
SCHEMBL23157115 0.74 TP53 (0.42) PTGS2SCN1ASCN2ASCN3ACA1
SCHEMBL21671191 0.72 TP53 (0.38) PTGS2SCN1ASCN2ASCN3ACA1
SCHEMBL23623916 0.72 HDAC8 (0.40) PTGS2SCN1ASCN2ASCN3ACA1
SCHEMBL23623980 0.69 TP53 (0.36) PTGS2SCN1ASCN2ASCN3ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210207188-A1 BETA-LACTAM COMPOUNDS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (HK) 2021-07-08 — — 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 (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-20210207188-A1 BETA-LACTAM COMPOUNDS AND METHODS OF USE THEREOF MGAM, SI, PGLS PTGS2 3737/4885SCN1A 3788/4885SCN2A 3130/4885

“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.

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