SCHEMBL751112

SCHEMBL751112

Cc1cccc(S(=O)(=O)C(I)I)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.44
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FBP1 P09467 9/20 0.41
HPGD P15428 1/20 0.41
MMP2 P08253 1/20 0.41
NLRP3 Q96P20 1/20 0.40
EDNRA P25101 1/20 0.40

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
SCHEMBL6098151 0.82 KMT2A (0.52) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL13656915 0.80 KMT2A (0.50) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL9733973 0.80 KMT2A (0.50) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL10765775 0.78 KMT2A (0.49) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL26489351 0.77 KMT2A (0.47) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL5075292 0.77 KMT2A (0.55) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL822302 0.76 KMT2A (0.59) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL29468572 0.76 KMT2A (0.59) KMT2AMEN1ACHEALDH1A1MAPT
Toluene SCHEMBL27995220 0.76 CA12 (0.47) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL11763989 0.75 LMNA (0.57) KMT2AMEN1ALDH1A1LMNA

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
WO-2025100328-A1 POLYURETHANE DISPERSION AND COATING MATERIAL 三井化学株式会社 2025-05-15 WO 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-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
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 KMT2A 2043/4885MEN1 2557/4885ACHE 1328/4885

“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.