SCHEMBL23658106

SCHEMBL23658106

CC(C)C(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)C(CN)Cc1ccc2ccccc2c1)[C@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.43
▸ MMP8 P22894 5/20 0.43
▸ MMP2 P08253 4/20 0.43
▸ ACE P12821 3/20 0.43
▸ MME P08473 3/20 0.43
▸ CPA1 P15085 2/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ IDE P14735 2/20 0.42
▸ FCER2 P06734 3/20 0.41
▸ OPRD1 P41143 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
SCHEMBL18637421 0.94 IDE (0.45) MMP9MMP8MMP2ACEMME
SCHEMBL18637664 0.93 MMP9 (0.46) MMP9MMP8MMP2ACEMME
SCHEMBL18637418 0.92 IDE (0.44) MMP9MMP8MMP2ACEMME
SCHEMBL19825874 0.88 MME (0.53) MME
SCHEMBL23658095 0.88 MME (0.53) MME
SCHEMBL18637663 0.87 MMP9 (0.46) MMP9MMP8MMP2ACEMME
SCHEMBL23658069 0.85 ACE (0.46) MMP9MMP8MMP2ACEMME
SCHEMBL19826074 0.83 MME (0.39) MME
SCHEMBL23658057 0.82 MME (0.54) MME
SCHEMBL19825792 0.82 MME (0.54) MME

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-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 — — 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-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 MMP9 2547/4885MMP8 1432/4885MMP2 938/4885

“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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