SCHEMBL16171925

SCHEMBL16171925

CC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.71
▸ ANPEP P15144 4/20 0.71
▸ ATM Q13315 1/20 0.53
▸ DPP7 Q9UHL4 6/20 0.39
▸ DPP8 Q6V1X1 5/20 0.39
▸ DPP9 Q86TI2 5/20 0.39
▸ DPP4 P27487 4/20 0.39
▸ CAPN1 P07384 2/20 0.34

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
SCHEMBL19744399 0.87 MMP2 (0.54) MMP2ANPEPATMDPP7DPP8
SCHEMBL21682451 0.87 MMP2 (0.54) MMP2ANPEPATMDPP7DPP8
SCHEMBL29260191 0.87 MMP2 (0.54) MMP2ANPEPATMDPP7DPP8
SCHEMBL19744398 0.87 MMP2 (0.54) MMP2ANPEPATMDPP7DPP8
SCHEMBL18339420 0.87 MMP2 (0.54) MMP2ANPEPATMDPP7DPP8
SCHEMBL30476594 0.83 MMP2 (1.00) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL16171927 0.83 MMP2 (1.00) MMP2ANPEPDPP7DPP8DPP9
SCHEMBL23038367 0.80 MMP2 (0.51) MMP2ANPEPATMDPP7DPP8
SCHEMBL20705291 0.80 MMP2 (0.51) MMP2ANPEPATMDPP7DPP8
SCHEMBL13836866 0.80 MMP2 (0.51) MMP2ANPEPATMDPP7DPP8

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-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2014-10-16 — — 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-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS API5, BIRC5, BAD MMP2 2035/4885ANPEP 1414/4885ATM 1240/4885

“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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