SCHEMBL14026846

SCHEMBL14026846

CC(C)(C)OC(=O)NCCNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.49
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL463455 0.93 TLR2 (0.50) TLR2BCHEACHEKMT2AMDM2
SCHEMBL30973621 0.93 TLR2 (0.50) TLR2BCHEACHEKMT2AMDM2
SCHEMBL12231705 0.93 TLR2 (0.50) TLR2BCHEACHEKMT2AMDM2
SCHEMBL12254867 0.93 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL14026797 0.90 KMT2A (0.47) KMT2AMDM2MDM4TP53
SCHEMBL30684555 0.89 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL14433000 0.88 TLR2 (0.59) TLR2BCHEACHEKMT2AMDM2
SCHEMBL16048758 0.87 TLR2 (0.51) TLR2BCHEACHEKMT2AMDM2
SCHEMBL31688554 0.87 TLR2 (0.59) TLR2KMT2AMDM2MDM4TP53
SCHEMBL16048760 0.87 TLR2 (0.51) TLR2BCHEACHEKMT2AMDM2

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-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 — — US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 — — 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC TLR2 53/4885BCHE 1864/4885ACHE 1791/4885

“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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