SCHEMBL1000759

SCHEMBL1000759

CCCCCCCCCCCC(=O)Nc1nc(CC(=O)OCC)cs1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.82
▸ POLB P06746 4/20 0.79
▸ PDE5A O76074 1/20 0.72
▸ MAPT P10636 2/20 0.70
▸ HTT P42858 1/20 0.70
▸ MAPK1 P28482 2/20 0.69
▸ TSHR P16473 1/20 0.69
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ LMNA P02545 2/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ESR2 Q92731 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL7974929 0.94 GAA (0.72) GAAPOLBPDE5AMAPTHTT
SCHEMBL7961421 0.94 GAA (0.72) GAAPOLBPDE5AMAPTHTT
SCHEMBL9232215 0.90 GAA (1.00) GAAPOLBMAPTHTTMAPK1
SCHEMBL1000799 0.85 PDE5A (0.79) GAAPOLBPDE5AMAPTHTT
SCHEMBL93110 0.83 PDE5A (0.76) GAAPOLBPDE5AMAPTHTT
SCHEMBL7503570 0.83 GAA (0.77) GAAPOLBHTTMAPK1TSHR
SCHEMBL6520420 0.83 GAA (0.77) GAAPOLBMAPTHTTMAPK1
SCHEMBL8350499 0.83 GAA (0.77) GAAPOLBHTTMAPK1TSHR
SCHEMBL7930533 0.83 GAA (0.77) GAAPOLBMAPTHTTMAPK1
SCHEMBL91408 0.82 PDE5A (0.74) GAAPOLBPDE5AMAPTHTT

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 945/4885POLB 1631/4885PDE5A 3580/4885

“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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