SCHEMBL1001000

SCHEMBL1001000

CC(C)(C)OC(=O)NCC(=O)C1CC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
DDB1 Q16531 4/20 0.39
CRBN Q96SW2 4/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HCRTR2 O43614 1/20 0.34

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
SCHEMBL3836555 0.79 EPHX2 (0.40) GAAEPHX1EPHX2DDB1CRBN
SCHEMBL27584630 0.78 ITGB1 (0.38) GAAEPHX1EPHX2DDB1CRBN
SCHEMBL29967266 0.75 MAPK1 (0.42) GAADDB1CRBNALDH1A1KMT2A
SCHEMBL28499087 0.73 EPHX2 (0.39) GAAEPHX2KMT2ANFKB1NFKB2
SCHEMBL14609262 0.73 CTSK (0.44) GAAALDH1A1KMT2AMEN1TSHR
SCHEMBL28799343 0.72 TDP1 (0.44) GAAKMT2AMEN1TDP1
Succinimide SCHEMBL6525020 0.72 DDB1 (0.41) GAAEPHX2DDB1CRBNALDH1A1
SCHEMBL9931314 0.72 KMT2A (0.50) GAAEPHX1ALDH1A1KMT2AMEN1
SCHEMBL6741998 0.71 CTSK (0.42) GAAALDH1A1KMT2AMEN1
SCHEMBL23513495 0.71 GAA (0.59) GAAEPHX2DDB1CRBNTSHR

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 GAA 945/4885EPHX1 3760/4885EPHX2 3716/4885

“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.