SCHEMBL29984428

SCHEMBL29984428

CC(C)(C)[Si](C)(C)OCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ TNF P01375 1/20 0.46
▸ MDM2 Q00987 6/20 0.45
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ IDO1 P14902 1/20 0.42
▸ TLR2 O60603 1/20 0.42

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
SCHEMBL18818374 1.00 HDAC1 (0.54) HDAC1HDAC2TNFMDM2MDM4
SCHEMBL19231027 0.97 HDAC1 (0.55) HDAC1HDAC2TNFMDM2MDM4
SCHEMBL13561434 0.90 HDAC1 (0.53) HDAC1HDAC2TNFMDM2MDM4
SCHEMBL18795317 0.90 MDM2 (0.54) TNFMDM2MDM4TP53TLR2
SCHEMBL21404824 0.90 MDM2 (0.54) TNFMDM2MDM4TP53TLR2
SCHEMBL29818551 0.84 MDM4 (0.54) MDM2MDM4TP53TLR2
SCHEMBL13311694 0.83 HDAC1 (0.60) HDAC1HDAC2TNFTLR2
SCHEMBL13561436 0.83 HDAC1 (0.60) HDAC1HDAC2TNFMDM2MDM4
SCHEMBL29984836 0.83 HDAC1 (0.60) HDAC1HDAC2TNFMDM2MDM4
SCHEMBL30711879 0.83 HDAC1 (0.60) HDAC1HDAC2TNFMDM2MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 — — US disclosed
EP-3609904-B1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (CH) 2022-11-30 — — EP 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-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 HDAC1 2188/4885HDAC2 4567/4885TNF 2027/4885

“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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