SCHEMBL514554

SCHEMBL514554

O=S(=O)(Nc1ccccc1CO)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
PTGS1 P23219 9/20 0.50
PTGS2 P35354 8/20 0.50
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CA1 P00915 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9571369 0.83 CA2 (0.54) CA2PTGS1PTGS2CA1SLC22A12
SCHEMBL5776943 0.82 CXCL8 (0.53) CA2PTGS1PTGS2
SCHEMBL11122074 0.81 CA2 (0.49) CA2PTGS1PTGS2MAPK1SMN1; SMN2
SCHEMBL26622091 0.79 CA2 (0.47) CA2PTGS1PTGS2CA1SLC22A12
SCHEMBL5778304 0.79 PTGS1 (0.47) CA2PTGS1PTGS2SLC22A12MAPK1
SCHEMBL12054691 0.78 CA2 (0.66) CA2PTGS1PTGS2CA1MAPK1
SCHEMBL11125379 0.77 PTGS1 (0.46) CA2PTGS1PTGS2ALDH1A1SLC22A12
SCHEMBL4963565 0.77 KEAP1 (0.55) PTGS1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5879757 0.75 PTGES2 (0.60) ALDH1A1
SCHEMBL9329237 0.75 SLC16A3 (0.48) ALDH1A1HPGDSLC22A12SMN1; SMN2

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-2025089147-A1 HERBICIDAL COMPOSITION 株式会社エス・ディー・エス バイオテック 2025-05-01 WO disclosed
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
CN-102137841-B Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2014-05-14 CN 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
CN-102137841-A Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2011-07-27 CN 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 CA2 200/4885PTGS1 3479/4885PTGS2 4244/4885

“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.