SCHEMBL47593

SCHEMBL47593

S=C=NCN(CN=C=S)CN=C=S

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.38
MIF P14174 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
NAAA Q02083 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL20274397 0.82
SCHEMBL17416121 0.67 TRPA1 (0.42) TRPA1MIFCYP3A4TSHRNAAA
SCHEMBL17261552 0.67
SCHEMBL483904 0.65
SCHEMBL671212 0.65
SCHEMBL348440 0.62
SCHEMBL1854857 0.59
SCHEMBL823814 0.59
SCHEMBL484045 0.59 MIF (0.68) TRPA1MIFNAAAALDH1A1
SCHEMBL18590604 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212286-B2 Methods and systems for coating a surface ALLACCEM, INC. (US) 2015-12-15 US disclosed
US-20130150809-A1 METHODS AND SYSTEMS FOR COATING A MEDICAL DEVICE ALLACCEM, INC. 2013-06-13 US disclosed
US-8268381-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2012-09-18 US disclosed
US-8067402-B2 Methods and systems for coating an oral surface ALLACCEM, INC. (US) 2011-11-29 US disclosed
US-8067403-B2 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. (US) 2011-11-29 US disclosed
US-20110015300-A1 METHODS AND SYSTEMS FOR COATING A SURFACE ALLACCEM, INC. 2011-01-20 US disclosed
US-7713955-B2 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. (US) 2010-05-11 US disclosed
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. 2008-08-28 US disclosed
US-20080020127-A1 Methods and systems for coating a medical device ALLACCEM, INC. 2008-01-24 US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 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 (3 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-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C TRPA1 1809/4885MIF 3997/4885CYP3A4 3581/4885
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning DNMT1, TET2, CD14 TRPA1 607/4885MIF 1926/4885CYP3A4 3326/4885
US-20110015300-A1 METHODS AND SYSTEMS FOR COATING A SURFACE DNMT1, TET2, DNMT3A TRPA1 1299/4885MIF 4001/4885CYP3A4 3069/4885

“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.