SCHEMBL751656

SCHEMBL751656

O=S(=O)(Cc1ccc(F)cc1)C(Br)Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
KMT2A Q03164 1/20 0.41
EGFR P00533 4/20 0.40
ERBB2 P04626 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 2/20 0.39
IDO1 P14902 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN1 P18031 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL755710 0.81 EGFR (0.41) KMT2AEGFRERBB2
SCHEMBL1271876 0.81 EGFR (0.44) LOXL2KMT2AEGFRERBB2L3MBTL1
SCHEMBL20682260 0.79 HTT (0.46) KMT2AEGFRERBB2L3MBTL1LMNA
SCHEMBL751782 0.79 KMT2A (0.49) KMT2AEGFRERBB2LMNAIDO1
SCHEMBL752888 0.79 KMT2A (0.41) LOXL2KMT2AEGFRERBB2L3MBTL1
SCHEMBL3626579 0.78 CA2 (0.52) LOXL2KMT2ALMNAHTTHPGD
SCHEMBL422010 0.75 USP2 (0.51) LOXL2KMT2AEGFRERBB2L3MBTL1
SCHEMBL752240 0.75 PLCG1 (0.49) KMT2AL3MBTL1HTTIDO1ALDH1A1
SCHEMBL753763 0.73 LOXL2 (0.53) LOXL2KMT2AL3MBTL1HTTIDO1
SCHEMBL9421733 0.73 FAAH (0.62) LOXL2KMT2AEGFRERBB2L3MBTL1

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-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

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 LOXL2 3294/4885KMT2A 2043/4885EGFR 2547/4885

“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.