SCHEMBL752209

SCHEMBL752209

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PSMB5 P28074 3/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
PSMB8 P28062 2/20 0.35

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
SCHEMBL754601 0.81 LMNA (0.37) LMNATDP1ALDH1A1HTTPOLB
SCHEMBL753837 0.79 KMT2A (0.49) LMNATDP1ALDH1A1POLBGAA
SCHEMBL21391752 0.78 LMNA (0.43) LMNATDP1ALDH1A1HTTPOLB
SCHEMBL14410521 0.76 LMNA (0.42) LMNATDP1ALDH1A1HTTNPC1
SCHEMBL23292574 0.75 LMNA (0.41) LMNATDP1ALDH1A1HTTNPC1
SCHEMBL30785385 0.75 LMNA (0.41) LMNATDP1ALDH1A1HTTNPC1
SCHEMBL24415722 0.75 CA2 (0.53) LMNATDP1ALDH1A1HTTNPC1
SCHEMBL30785386 0.75 LMNA (0.41) LMNATDP1ALDH1A1HTTNPC1
SCHEMBL753272 0.73 CYP1A2 (0.46)
SCHEMBL16002843 0.72 HTR1D (0.43) LMNATDP1HTTNPC1RAB9A

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 6 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-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed
US-4018611-A Non-yellowing antimicrobial compositions comprising diiodomethyl sulfones METALORGANA ETABLISSEMENT (FL) 1977-04-19 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.