SCHEMBL754883

SCHEMBL754883

O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)CI

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.57
MAPK1 P28482 4/20 0.47
TSHR P16473 1/20 0.47
VCAM1 P19320 1/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 3/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL14397142 0.82 ALDH1A1 (0.64) MAPK1TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL755153 0.81 TSHR (0.53) MAPK1TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL30821752 0.80 KIF18A (0.64) KIF18AMAPK1TSHRVCAM1MAPT
SCHEMBL1052777 0.80 KIF18A (0.64) KIF18AMAPK1TSHRVCAM1MAPT
SCHEMBL9012097 0.78 KIF18A (0.62) KIF18AMAPK1TSHRVCAM1MAPT
SCHEMBL27334707 0.78 KIF18A (0.62) KIF18AMAPK1TSHRVCAM1MAPT
SCHEMBL7813933 0.78 KIF18A (0.62) KIF18AMAPK1TSHRVCAM1MAPT
SCHEMBL32679728 0.78 KIF18A (0.62) KIF18AMAPK1TSHRVCAM1MAPT
SCHEMBL753222 0.77 KIF18A (0.57) KIF18AMAPK1TSHRVCAM1MAPT
Hydrochloric Acid SCHEMBL28104854 0.77 KIF18A (0.60) KIF18AMAPK1TSHRVCAM1MAPT

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 5 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-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

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 KIF18A 3723/4885MAPK1 3917/4885TSHR 4791/4885

“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.