SCHEMBL1000116

SCHEMBL1000116

CCCCC(C(=O)O)N(C(=O)OC)C1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C19 P33261 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
SCHEMBL8158096 1.00 BCHE (0.37) BCHEACHEKMT2ATDP1L3MBTL1
SCHEMBL1000114 1.00 BCHE (0.37) BCHEACHEKMT2ATDP1L3MBTL1
SCHEMBL30510257 1.00 BCHE (0.37) BCHEACHEKMT2ATDP1L3MBTL1
SCHEMBL25182246 0.96 PRSS1 (0.37) BCHEACHEKMT2ATDP1L3MBTL1
SCHEMBL8893033 0.93 CYP1A2 (0.37) KMT2AMAPTCYP1A2TSHRPOLB
SCHEMBL25177898 0.93 CYP1A2 (0.37) KMT2AL3MBTL1PRSS1CTSGCTRB1
SCHEMBL8892535 0.93 CYP1A2 (0.37) KMT2AMAPTCYP1A2TSHRPOLB
SCHEMBL4738904 0.89 EPOR (0.42) CYP1A2TSHR
SCHEMBL5548812 0.89 EPOR (0.42) CYP1A2TSHR
SCHEMBL25179548 0.88 CYP1A2 (0.34) KMT2AMAPTCYP1A2TSHRPOLB

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 BCHE 3781/4885ACHE 4764/4885KMT2A 4429/4885

“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.