SCHEMBL1001536

SCHEMBL1001536

CCCCCCCCCCCCn1cc(C(=O)O)nn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.51
GBA1 P04062 12/20 0.47
EPHX2 P34913 1/20 0.46
KDM5C P41229 1/20 0.46

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
SCHEMBL23130873 0.98 SMPD1 (0.49) SMPD1GBA1EPHX2KDM5C
SCHEMBL6072137 0.93 DPP4 (0.45) SMPD1GBA1EPHX2KDM5C
SCHEMBL6071691 0.86 L3MBTL1 (0.50) KDM5C
SCHEMBL17427978 0.85 DPP4 (0.44)
SCHEMBL27978934 0.81 DPP4 (0.46) GBA1
SCHEMBL17396766 0.81 ALDH1A1 (0.44)
SCHEMBL616559 0.81 SMPD1 (0.51) SMPD1GBA1EPHX2
SCHEMBL23921581 0.80 DPP4 (0.51)
SCHEMBL6072289 0.79 ALDH1A1 (0.45) KDM5C
SCHEMBL17396869 0.78 GLS (0.43)

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 10 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
US-7795207-B2 Lipopeptide compositions MERLION PHARMACEUTICALS GMBH (DE) 2010-09-14 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
EP-1951311-A1 LIPOPEPTIDE COMPOSITIONS Merlion Pharmaceuticals GmbH (DE) 2008-08-06 EP disclosed
US-20070219124-A1 Lipopeptide compositions COMBINATURE BIOPHARM AG (DE) 2007-09-20 US disclosed
WO-2007057005-A1 LIPOPEPTIDE COMPOSITIONS MERLION PHARMACEUTICALS GMBH (DE) 2007-05-24 WO disclosed
CN-1839150-A Lipopeptide antibacterial derivative composition and application method thereof MIGENIX INC (CA) 2006-09-27 CN 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 (2 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-20070219124-A1 Lipopeptide compositions NOD2, IAPP, PTMS SMPD1 317/4885GBA1 1192/4885EPHX2 3375/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 SMPD1 905/4885GBA1 1971/4885EPHX2 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.