SCHEMBL17973546

SCHEMBL17973546

C[C@H](CN=[N+]=[N-])C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.41
▸ ACE P12821 2/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ LTA4H P09960 3/20 0.38
▸ CASP1 P29466 3/20 0.38
▸ ANPEP P15144 1/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.33

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
SCHEMBL17193565 0.79 — —
SCHEMBL15317631 0.79 — —
SCHEMBL14704268 0.79 — —
SCHEMBL16619435 0.77 MME (0.39) MMEACECPA1ACE2LTA4H
SCHEMBL17973545 0.75 — —
SCHEMBL23214397 0.75 SMN1; SMN2 (0.39) MMEACECPA1ACE2LTA4H
SCHEMBL16892781 0.75 SMN1; SMN2 (0.39) MMEACECPA1ACE2LTA4H
SCHEMBL17973547 0.72 ACE (0.40) MMEACECPA1ACE2CASP1
SCHEMBL16569260 0.71 MME (0.40) MMEACECPA1ACE2LTA4H
SCHEMBL17551030 0.71 — —

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-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-08-04 — — 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-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD MME 679/4885ACE 390/4885CPA1 1022/4885

“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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