SCHEMBL754601

SCHEMBL754601

Cc1ccc(CS(=O)(=O)C(Br)Br)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PSMB5 P28074 3/20 0.35
PSMB8 P28062 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL752209 0.81 LMNA (0.41) LMNATDP1ALDH1A1HTTPOLB
SCHEMBL751782 0.79 KMT2A (0.49) LMNATDP1ALDH1A1POLBMAPT
SCHEMBL21391752 0.78 LMNA (0.43) LMNATDP1ALDH1A1HTTPOLB
SCHEMBL753290 0.76 ALDH1A1 (0.48) LMNAALDH1A1HTTPOLBHPGD
SCHEMBL14410521 0.76 LMNA (0.42) LMNATDP1ALDH1A1HTTCA12
SCHEMBL24415722 0.75 CA2 (0.53) LMNATDP1ALDH1A1HTTCA12
SCHEMBL30785385 0.75 LMNA (0.41) LMNATDP1ALDH1A1HTTCA12
SCHEMBL23292574 0.75 LMNA (0.41) LMNATDP1ALDH1A1HTTCA12
SCHEMBL30785386 0.75 LMNA (0.41) LMNATDP1ALDH1A1HTTCA12
SCHEMBL754794 0.74 S100A9 (0.44) TSHRKMT2A

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
EP-2213166-B1 Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone THOR GMBH (DE) 2012-03-21 EP claimed
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US claimed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US 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 LMNA 2449/4885TDP1 1321/4885ALDH1A1 553/4885

“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.