SCHEMBL2188940

SCHEMBL2188940

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.39
POLB P06746 2/20 0.35
GRK2 P25098 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
APAF1 O14727 1/20 0.35
DNMT1 P26358 1/20 0.35
PTPN7 P35236 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
PPP1CA P62136 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2213141 0.75 BBOX1 (0.39) BBOX1
SCHEMBL12852548 0.68
Hydrochloric Acid SCHEMBL3247022 0.67
SCHEMBL27097781 0.66 BBOX1 (0.39) BBOX1POLBGRK2L3MBTL1APAF1
SCHEMBL25663650 0.66 BBOX1 (0.54) BBOX1POLBGRK2L3MBTL1APAF1
SCHEMBL17030369 0.66
SCHEMBL4565040 0.65 BBOX1 (0.44) BBOX1POLBGRK2L3MBTL1APAF1
Hydrochloric Acid SCHEMBL3238679 0.65
SCHEMBL12852542 0.65
SCHEMBL12375265 0.64

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
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US claimed
EP-2341886-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NovaBay Pharmaceuticals, Inc. (US) 2011-07-13 EP claimed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 US claimed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 WO claimed
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 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 (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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO BBOX1 925/4885POLB 678/4885GRK2 4587/4885

“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.