SCHEMBL2016598

SCHEMBL2016598

O=S(=O)(Nc1ccccc1)OS(=O)(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.56
CA2 P00918 3/20 0.56
CA1 P00915 2/20 0.56
IL1RN P18510 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
PKM P14618 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
PGR P06401 3/20 0.44
POLB P06746 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL27659295 0.85 KEAP1 (0.55) KEAP1CA2CA1IL1RNERAP1
SCHEMBL11779981 0.81 KEAP1 (0.52) KEAP1CA2CA1IL1RNERAP1
SCHEMBL675949 0.81 KEAP1 (0.58) KEAP1CA2CA1IL1RNERAP1
SCHEMBL4575734 0.79 KEAP1 (0.50) KEAP1CA2CA1IL1RNERAP1
Hydrochloric Acid SCHEMBL28137064 0.79 KEAP1 (0.56) KEAP1CA2CA1IL1RNERAP1
SCHEMBL1729178 0.79 KMT2A (0.53) KEAP1CA2CA1IL1RNERAP1
SCHEMBL29112875 0.78 KEAP1 (0.48) KEAP1CA2CA1IL1RNERAP1
SCHEMBL28212329 0.78 KEAP1 (0.48) KEAP1CA2CA1IL1RNERAP1
SCHEMBL10325170 0.78 KMT2A (0.52) KEAP1CA2CA1IL1RNERAP1
SCHEMBL11560040 0.78 KMT2A (0.62) KEAP1CA2CA1IL1RNERAP1

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
CN-109843380-A Copolymer compositions for coating and adhesive applications 美国陶氏有机硅公司 2019-06-04 CN disclosed
CN-109715692-A Skin contact adhesive and its preparation and application 美国陶氏有机硅公司 2019-05-03 CN disclosed
US-20130252811-A1 NOVEL HERBICIDE SYNGENTA LIMITED (US) 2013-09-26 US disclosed
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (US) 2013-05-30 US disclosed
EP-2523554-A2 HERBICIDAL COMPOSITION COMPRISING A PYRANDIONE HERBICIDE AND A CO-HERBICIDE Syngenta Limited (GB) 2012-11-21 EP disclosed
WO-2011073615-A2 HERBICIDAL COMPOSITION COMPRISING A PYRANDIONE HERBICIDE AND A CO-HERBICIDE SYNGENTA LIMITED (GB) 2011-06-23 WO 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 (2 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-20130252811-A1 NOVEL HERBICIDE FOXM1, EML4, RPL21 KEAP1 172/4885CA2 215/4885CA1 293/4885
US-20130137573-A1 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES FOXM1, ARSA, RPS21 KEAP1 425/4885CA2 71/4885CA1 136/4885

“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.