SCHEMBL3087377

SCHEMBL3087377

CCCC(OC(=O)C(S)CC)OC(=O)C(S)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP3A4 P08684 3/20 0.32
TSHR P16473 3/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 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
SCHEMBL9420597 0.90 CA1 (0.35) CA1CA2TDP1PRKCAPRKCD
SCHEMBL9420800 0.89 CA1 (0.31) CA1CA2PRKCAPRKCD
SCHEMBL1171046 0.81 HDAC1 (0.34) CA1CA2TDP1CHRM1AKR1A1
SCHEMBL22467830 0.81 NFKB1 (0.37) CA1CA2TDP1CHRM1AKR1A1
SCHEMBL9420804 0.80 CA2 (0.44) CA1CA2TDP1PRKCAPRKCD
SCHEMBL9420670 0.79 CHRM1 (0.30) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9420734 0.78 ALDH1A1 (0.31)
SCHEMBL9420616 0.77 ZDHHC7 (0.44) CA1CA2
SCHEMBL9420833 0.76 SMPD1 (0.37) CA1CA2
SCHEMBL9420723 0.76 SMPD1 (0.40) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9131692-B2 Antibacterial imidazolium compound and antibacterial photocurable thiol-ene compositions comprising the same, and antibacterial polymer coatins prepared therefrom KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-09-15 US disclosed
US-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-31 US disclosed
US-8283095-B2 Thiourethane compound and photosensitive resin composition SHOWA DENKO K.K. (JP) 2012-10-09 US disclosed
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION SHOWA DENKO K.K. (JP) 2010-09-16 US disclosed
EP-2055726-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Showa Denko K.K. (JP) 2009-05-06 EP 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-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM WASF2, MACF1, ETF1 CA1 4301/4885CA2 2867/4885TDP1 3062/4885
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION RCOR3, CBR3, TAS2R3 CA1 1541/4885CA2 1942/4885TDP1 1759/4885

“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.