SCHEMBL746514

SCHEMBL746514

O=S(=O)(Cc1ccc(Cl)cc1)C(I)I

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
SLC6A4 P31645 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL751781 0.79 EGFR (0.40) MEN1KMT2ANPC1EGFRERBB2
SCHEMBL752888 0.79 KMT2A (0.41) KMT2AL3MBTL1HPGDEGFRERBB2
SCHEMBL20682390 0.79 L3MBTL1 (0.46) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL753837 0.79 KMT2A (0.49) MEN1KMT2AALDH1A1IDO1
SCHEMBL750558 0.78 CA2 (0.52) KMT2AALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL753737 0.77 PNMT (0.46) MEN1KMT2ACYP3A4IDO1SMN1; SMN2
SCHEMBL1194611 0.75 KMT2A (0.52) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL2337199 0.75 PPARG (0.47) MEN1KMT2AEGFRERBB2
SCHEMBL752330 0.75 LDHA (0.49) KMT2AALDH1A1SLC6A4IDO1SMN1; SMN2
SCHEMBL9162919 0.73 KMT2A (0.50) MEN1KMT2AKDM4EL3MBTL1ALDH1A1

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-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 MEN1 2557/4885KMT2A 2043/4885KDM4E 3357/4885

“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.