SCHEMBL2322686

SCHEMBL2322686

CC(C)(CCS(=O)(=O)CCC[N+](C)(C)C)NCl

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.41
ENPP2 Q13822 3/20 0.31

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
Hydrochloric Acid SCHEMBL1992346 0.98 BBOX1 (0.40) BBOX1ENPP2
SCHEMBL2325773 0.89 BBOX1 (0.31) BBOX1
Hydrochloric Acid SCHEMBL1992902 0.88 BBOX1 (0.31) BBOX1
SCHEMBL12852715 0.77 MEN1 (0.39) BBOX1
SCHEMBL12852883 0.77 BBOX1 (0.45) BBOX1ENPP2
SCHEMBL2320020 0.76 BBOX1 (0.41) BBOX1ENPP2
Hydrochloric Acid SCHEMBL3250457 0.75 APEX1 (0.42) BBOX1
SCHEMBL3421065 0.75 APEX1 (0.41)
Hydrochloric Acid SCHEMBL1993252 0.75 BBOX1 (0.40) BBOX1ENPP2
SCHEMBL12852496 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP claimed
EP-2531026-A1 POLYSACCHARIDE BASED ANTIMICROBIAL FORMULATIONS NovaBay Pharmaceuticals, Inc. (US) 2012-12-12 EP disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
WO-2011097324-A1 POLYSACCHARIDE BASED ANTIMICROBIAL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. (US) 2011-08-11 WO disclosed
WO-2011097324-A1 POLYSACCHARIDE BASED ANTIMICROBIAL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. (US) 2011-08-11 WO disclosed
US-20110190392-A1 Polysaccharide Based Antimicrobial Formulations NOVABAY PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO BBOX1 925/4885ENPP2 4656/4885
US-20110190392-A1 Polysaccharide Based Antimicrobial Formulations FUT6, FUT5, OGT BBOX1 807/4885ENPP2 2949/4885

“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.