SCHEMBL752591

SCHEMBL752591

CC(C)c1ccccc1S(=O)(=O)C(I)I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
MMP14 P50281 2/20 0.38
MMP16 P51512 2/20 0.38
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL22927502 0.83 HSD11B1 (0.47) HSD11B1L3MBTL1POLBGABRA1GABRB2
SCHEMBL9379437 0.83 HSD11B1 (0.54) HSD11B1L3MBTL1POLBGABRA1GABRB2
SCHEMBL10180863 0.77 HSD11B1 (0.47) HSD11B1L3MBTL1POLBGABRA1GABRB2
SCHEMBL1106525 0.77 L3MBTL1 (0.52) HSD11B1L3MBTL1POLBGABRA1GABRB2
SCHEMBL9962272 0.76 HSD11B1 (0.60) HSD11B1L3MBTL1POLBCA1CA2
SCHEMBL12812603 0.75 L3MBTL1 (0.46) HSD11B1L3MBTL1POLBGABRA1GABRB2
SCHEMBL1106519 0.75 CA1 (0.53) HSD11B1L3MBTL1POLBGABRA1GABRB2
SCHEMBL562674 0.75 SLC1A3 (0.39) HSD11B1L3MBTL1POLBCYP3A4TSHR
SCHEMBL1415493 0.75 L3MBTL1 (0.46) HSD11B1L3MBTL1POLBGABRA1GABRB2
SCHEMBL3527315 0.75 HSD11B1 (0.47) HSD11B1L3MBTL1POLBGABRA1GABRB2

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 HSD11B1 462/4885L3MBTL1 1037/4885POLB 2033/4885

“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.