SCHEMBL1000135

SCHEMBL1000135

CC(C)(C)OC(=O)N[C@@H](CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
TLR2 O60603 3/20 0.58
TLR1 Q15399 1/20 0.58
MDM2 Q00987 6/20 0.56
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL30885878 0.99 KMT2A (0.58) KMT2ATLR2TLR1MDM2KLK7
SCHEMBL2267346 0.99 KMT2A (0.58) KMT2ATLR2TLR1MDM2KLK7
SCHEMBL29401707 0.99 KMT2A (0.58) KMT2ATLR2TLR1MDM2KLK7
SCHEMBL999302 0.99 KMT2A (0.58) KMT2ATLR2TLR1MDM2KLK7
SCHEMBL12040103 0.99 KMT2A (0.58) KMT2ATLR2TLR1MDM2KLK7
SCHEMBL29362262 0.99 KMT2A (0.58) KMT2ATLR2TLR1MDM2KLK7
SCHEMBL25357595 0.96 MDM2 (0.58) KMT2ATLR2TLR1MDM2MDM4
SCHEMBL21009795 0.96 MDM2 (0.58) KMT2ATLR2TLR1MDM2MDM4
SCHEMBL4600483 0.96 MDM2 (0.58) KMT2ATLR2TLR1MDM2MDM4
SCHEMBL31714126 0.96 MDM2 (0.58) KMT2ATLR2TLR1MDM2MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO 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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 KMT2A 4429/4885TLR2 20/4885TLR1 24/4885

“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.