SCHEMBL514606

SCHEMBL514606

[CH2]OCOC(=O)c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.43
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
ESR1 P03372 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
GSK3B P49841 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL514973 0.81 LMNA (0.61) CA1CA2ESR1MEN1KMT2A
SCHEMBL513611 0.81 TDP1 (0.53) CA1CA2ESR1KMT2ACA12
SCHEMBL514607 0.81 CA1 (0.44) TPMTPTPN2PTPN1CA1CA2
SCHEMBL514539 0.80 TDP1 (0.59) KMT2ALMNACYP1A2TDP1ALDH1A1
SCHEMBL23817391 0.79 ESR1 (0.52) TPMTCA1CA2ESR1MEN1
SCHEMBL514713 0.77 TPMT (0.52) TPMTPTPN2PTPN1CA1CA2
SCHEMBL203959 0.76 CA1 (0.68) CA1CA2ESR1MEN1KMT2A
SCHEMBL26586677 0.76 TPMT (0.46) TPMTPTPN2PTPN1CA1CA2
SCHEMBL1724898 0.76 SNCA (0.58) TPMTPTPN2PTPN1CA1CA2
SCHEMBL514474 0.75 KMT2A (0.56) CA1CA2MEN1KMT2AGSK3B

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
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 TPMT 4281/4885PTPN2 920/4885PTPN1 479/4885

“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.