SCHEMBL751145

SCHEMBL751145

O=S(=O)(C(I)I)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP7 P09237 1/20 0.34
MMP12 P39900 1/20 0.34
ECE1 P42892 1/20 0.34
MMP13 P45452 1/20 0.34
CA1 P00915 3/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
CA2 P00918 2/20 0.31
EPHX1 P07099 1/20 0.31
CA9 Q16790 1/20 0.30

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
SCHEMBL11760450 0.97 MMP1 (0.32) MMP1MMP7MMP12ECE1MMP13
SCHEMBL26489363 0.78 CA1 (0.36) MMP1MMP7MMP12ECE1MMP13
SCHEMBL26489367 0.75 MMP1 (0.36) MMP1MMP7MMP12ECE1MMP13
SCHEMBL21833980 0.75 MMP1 (0.36) MMP1MMP7MMP12ECE1MMP13
SCHEMBL11764026 0.75
SCHEMBL12415514 0.74 MMP1 (0.38) MMP1MMP7MMP12ECE1MMP13
SCHEMBL10296015 0.74 MMP1 (0.38) MMP1MMP7MMP12ECE1MMP13
SCHEMBL752141 0.74 MMP1 (0.34) MMP1MMP7MMP12ECE1MMP13
SCHEMBL4814249 0.73 MMP1 (0.35) MMP1MMP7MMP12ECE1MMP13
SCHEMBL26343888 0.72 MMP1 (0.33) MMP1MMP7MMP12ECE1MMP13

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 9 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-5773157-A SUBSTRATE WITH MAGNETIC COATING LAYER OF POWDERS AND BINDERS TEIJIN LIMITED (JP) 1998-06-30 US disclosed
EP-0640959-B1 Magnetic recording medium with fungiresistance and process for manufacturing same TEIJIN LTD (JP) 1998-01-07 EP disclosed
EP-0640959-A1 Magnetic recording medium with fungiresistance and process for manufacturing same TEIJIN LIMITED (JP) 1995-03-01 EP 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 MMP1 2334/4885MMP7 318/4885MMP12 1043/4885

“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.