SCHEMBL23658165

SCHEMBL23658165

CC(C)C(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)C(CN)C1CCCCC1)[C@H](C)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ FCER2 P06734 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ MMP2 P08253 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ METAP2 P50579 1/20 0.30

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
SCHEMBL19825856 1.00 TP53 (0.34) TP53KDM4EGMNNLMNAMAPT
SCHEMBL19825818 0.92 CPB2 (0.35) TP53KDM4EGMNNLMNAMAPT
SCHEMBL23658150 0.92 CPB2 (0.35) TP53KDM4EGMNNLMNAMAPT
SCHEMBL18637669 0.91 TP53 (0.31) TP53KDM4EGMNNLMNAMAPT
SCHEMBL18637665 0.90 TP53 (0.34) TP53KDM4EGMNNLMNAMAPT
SCHEMBL21335134 0.90 TP53 (0.36) TP53KDM4EGMNNLMNAMAPT
SCHEMBL19825855 0.88 TP53 (0.33) TP53KDM4EGMNNLMNAMAPT
SCHEMBL18637667 0.88 TP53 (0.33) TP53KDM4EGMNNLMNAMAPT
SCHEMBL19825813 0.85 CPB2 (0.36) CPB2MMP1FCER2CA12CA1
SCHEMBL18637217 0.82 ALDH1A1 (0.45) TP53KDM4EGMNNLMNAMAPT

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 TP53 2947/4885KDM4E 3621/4885GMNN 815/4885

“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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