SCHEMBL752256

SCHEMBL752256

CCCCCCCS(=O)(=O)C(Br)Br

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.55
FAAH O00519 4/20 0.50
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
CES1 P23141 3/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL751546 1.00 CA2 (0.55) CA2FAAHLCKPPARDZDHHC20
SCHEMBL751208 1.00 CA2 (0.55) CA2FAAHLCKPPARDZDHHC20
SCHEMBL10707328 0.80 CA2 (0.59) CA2FAAHTSHRTHRBCES1
SCHEMBL13623537 0.80 CA2 (0.59) CA2FAAHTSHRTHRBCES1
SCHEMBL14519882 0.78 CA2 (0.63) CA2FAAHTSHRTHRBCES1
SCHEMBL27050891 0.78 CA2 (0.63) CA2FAAHTSHRTHRBCES1
SCHEMBL1911477 0.78 CA2 (0.63) CA2FAAHTSHRTHRBCES1
SCHEMBL11101496 0.78 CA2 (0.63) CA2FAAHTSHRTHRBCES1
SCHEMBL8594180 0.77 CA2 (0.56) CA2FAAHTSHRTHRBCES1
SCHEMBL752021 0.76 CA2 (0.55) CA2FAAHTSHRTHRBCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213166-B1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GMBH (DE) 2012-03-21 EP claimed
EP-2213166-A1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GmbH (DE) 2010-08-04 EP claimed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US claimed
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP disclosed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
EP-2213166-B1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GMBH (DE) 2012-03-21 EP disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed
EP-2213166-A1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GmbH (DE) 2010-08-04 EP disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 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-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone MBTD1, MPST, B2M CA2 1575/4885FAAH 1508/4885LCK 1507/4885

“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.