SCHEMBL2185541

SCHEMBL2185541

CCN(CCCS(=O)(=O)O)CCN(CC)CCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
APP P05067 1/20 0.41
PAOX Q6QHF9 1/20 0.35
LMNA P02545 2/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CHRM2 P08172 2/20 0.32
SLC6A4 P31645 2/20 0.32
DRD3 P35462 2/20 0.32
KCNH2 Q12809 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL918207 0.93 NPSR1 (0.50) NPSR1APPPAOXLMNAPTGS1
SCHEMBL17833359 0.91 NPSR1 (0.42) NPSR1APPPAOXLMNAPTGS1
Water SCHEMBL21295559 0.91 NPSR1 (0.48) NPSR1APPPAOXLMNAPTGS1
SCHEMBL14686407 0.87 NPSR1 (0.42) NPSR1APPPAOXLMNAPTGS1
SCHEMBL15345862 0.86 NPSR1 (0.48) NPSR1APPPAOXLMNAPTGS1
Sulfuric Acid SCHEMBL29054619 0.84 NPSR1 (0.52) NPSR1APPPAOXLMNAPTGS1
SCHEMBL27938410 0.84 NPSR1 (0.47) NPSR1APPPAOXLMNACHRM2
Eprodisate SCHEMBL23795566 0.83 APP (0.46) NPSR1APPPAOXLMNAPTGS1
SCHEMBL16666053 0.83 APP (0.50) NPSR1APPLMNAPTGS1PDE4A
SCHEMBL4185969 0.82 APP (0.41) NPSR1APPLMNAPTGS1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814688-B2 Antimicrobial compositions and methods for their use DERMCARE-VET PTY LTD (AU) 2017-11-14 US claimed
US-20170165208-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR THEIR USE DERMCARE-VET PTY LTD (AU) 2017-06-15 US claimed
US-9555015-B2 Antimicrobial compositions and methods for their use DERMCARE-VET PTY LTD (AU) 2017-01-31 US claimed
EP-1755576-B1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR THEIR USE DERMCARE VET PTY LTD (AU) 2011-07-13 EP claimed
EP-1755576-A4 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR THEIR USE DERMCARE VET PTY LTD (AU) 2009-07-08 EP claimed
US-20070282008-A1 Antimicrobial Compositions and Methods for Their Use DEMCARE-VET PTY LTD (AU) 2007-12-06 US claimed
EP-1755576-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR THEIR USE DERMCARE-VET PTY LTD (AU) 2007-02-28 EP claimed
WO-2005097094-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR THEIR USE DERMCARE-VET PTY LTD (AU) 2005-10-20 WO claimed
US-9814688-B2 Antimicrobial compositions and methods for their use DERMCARE-VET PTY LTD (AU) 2017-11-14 US disclosed
US-20170165208-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR THEIR USE DERMCARE-VET PTY LTD (AU) 2017-06-15 US disclosed
US-9555015-B2 Antimicrobial compositions and methods for their use DERMCARE-VET PTY LTD (AU) 2017-01-31 US disclosed
EP-1755576-B1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR THEIR USE DERMCARE VET PTY LTD (AU) 2011-07-13 EP disclosed
US-20070282008-A1 Antimicrobial Compositions and Methods for Their Use DEMCARE-VET PTY LTD (AU) 2007-12-06 US 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-20170165208-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR THEIR USE CUTA, PUF60, UNG NPSR1 4101/4885APP 3536/4885PAOX 3598/4885
US-20070282008-A1 Antimicrobial Compositions and Methods for Their Use CUTA, PUF60, UNG NPSR1 4101/4885APP 3536/4885PAOX 3598/4885

“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.