SCHEMBL753837

SCHEMBL753837

Cc1ccc(CS(=O)(=O)C(I)I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
ESR2 Q92731 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL751782 0.79 KMT2A (0.49) KMT2ACA1CA2CA9POLB
SCHEMBL752888 0.79 KMT2A (0.41) KMT2APOLBTDP1LMNAIDO1
SCHEMBL751781 0.79 EGFR (0.40) KMT2ACA1CA2CA9POLB
SCHEMBL746514 0.79 MEN1 (0.44) KMT2AALDH1A1IDO1MEN1
SCHEMBL752330 0.79 LDHA (0.49) KMT2ACA1CA2CA9POLB
SCHEMBL752209 0.79 LMNA (0.41) POLBALDH1A1TDP1LMNAGAA
SCHEMBL4400952 0.75 KMT2A (0.62) KMT2ACA1CA2CA9POLB
SCHEMBL16971268 0.75 KMT2A (0.45) KMT2ACA1CA2CA9POLB
SCHEMBL788780 0.73 KMT2A (0.50) KMT2ACA1CA2CA9POLB
SCHEMBL515055 0.73 KMT2A (0.50) KMT2ACA1CA2CA9POLB

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
US-20100189811-A1 Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone THOR GMBH (DE) 2010-07-29 US claimed
EP-2366554-B1 Thermosensitive recording medium RICOH CO LTD (JP) 2014-04-30 EP disclosed
US-8709974-B2 Thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2014-04-29 US disclosed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
US-20110230341-A1 THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2011-09-22 US disclosed
EP-2366554-A2 Thermosensitive recording medium Ricoh Company, Ltd. (JP) 2011-09-21 EP 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 KMT2A 2043/4885CA1 3656/4885CA2 1575/4885

“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.