SCHEMBL16569260

SCHEMBL16569260

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.40
▸ ACE P12821 2/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ LTA4H P09960 3/20 0.36
▸ ANPEP P15144 1/20 0.34
▸ ECE1 P42892 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ CA2 P00918 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL866892 0.86 — —
SCHEMBL12487823 0.86 — —
SCHEMBL866893 0.86 — —
SCHEMBL31472581 0.84 MME (0.37) MMEACECPA1ACE2LTA4H
Hydrochloric Acid SCHEMBL25266273 0.84 TP53 (0.36) —
Hydrochloric Acid SCHEMBL7721977 0.84 TP53 (0.36) —
SCHEMBL16619435 0.73 MME (0.39) MMEACECPA1ACE2LTA4H
SCHEMBL31378127 0.72 — —
SCHEMBL17867317 0.72 MME (0.41) MMEACECPA1ACE2LTA4H
SCHEMBL17973546 0.71 MME (0.41) MMEACECPA1ACE2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190024132-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2019-01-24 — — US disclosed
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
WO-2015038764-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-03-19 — — 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 (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-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD MME 679/4885ACE 390/4885CPA1 1022/4885
US-20190024132-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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