SCHEMBL514713

SCHEMBL514713

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
PTPN2 P17706 2/20 0.48
PTPN1 P18031 2/20 0.48
GSK3B P49841 1/20 0.45
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PHGDH O43175 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
APP P05067 2/20 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
SCHEMBL28447963 0.80 TPMT (0.56) TPMTCA1CA2PTPN2PTPN1
SCHEMBL8315092 0.78 CA1 (0.60) CA1CA2TDP1CA12CA7
SCHEMBL7349441 0.78 TSHR (0.60) TPMTCA1CA2CA12CA7
SCHEMBL14148332 0.78 TPMT (0.54) TPMTCA1CA2PTPN2PTPN1
SCHEMBL514606 0.77 TPMT (0.43) TPMTCA1CA2PTPN2PTPN1
SCHEMBL7716 0.76 CA1 (0.64) TPMTCA1CA2PTPN2PTPN1
SCHEMBL5133009 0.76 TPMT (0.52) TPMTCA1CA2PTPN2PTPN1
SCHEMBL15865831 0.76 TPMT (0.52) TPMTCA1CA2PTPN2PTPN1
SCHEMBL6966147 0.76 CES2 (0.54) CA1CA2GSK3B
SCHEMBL513954 0.76 TDP1 (0.64) GSK3BTDP1

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 7 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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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 4281/4885CA1 1364/4885CA2 200/4885

“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.