SCHEMBL515524

SCHEMBL515524

O=CNCc1cccc(SC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.49
ADH1C P00326 1/20 0.49
ADH1A P07327 1/20 0.49
ADH7 P40394 1/20 0.49
PTPRZ1 P23471 3/20 0.45
PTPN1 P18031 2/20 0.45
FFAR4 Q5NUL3 1/20 0.39
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CETP P11597 2/20 0.36
ALDH1A1 P00352 1/20 0.34
TRPV1 Q8NER1 3/20 0.33
CYP19A1 P11511 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3306295 0.80 PTPRZ1 (0.70) ADH1BADH1CADH1AADH7PTPRZ1
SCHEMBL1295715 0.80 FFAR4 (0.42) PTPRZ1PTPN1FFAR4UBE2MDCUN1D1
SCHEMBL13123441 0.79 PTPRZ1 (0.50) PTPRZ1PTPN1FFAR4UBE2MDCUN1D1
SCHEMBL515523 0.78 PTPRZ1 (0.42) PTPRZ1PTPN1FFAR4UBE2MDCUN1D1
SCHEMBL8750958 0.77 ADH1B (0.71) ADH1BADH1CADH1AADH7MAPT
SCHEMBL1071778 0.77 ALDH1A1 (0.44) PTPRZ1PTPN1FFAR4UBE2MDCUN1D1
SCHEMBL3278395 0.76 CETP (0.42) PTPRZ1PTPN1FFAR4UBE2MDCUN1D1
SCHEMBL31173722 0.76 PTPRZ1 (0.48) PTPRZ1PTPN1FFAR4UBE2MDCUN1D1
SCHEMBL568256 0.76 ADH1B (0.53) ADH1BADH1CADH1AADH7FFAR4
SCHEMBL514241 0.75 FFAR4 (0.46) PTPRZ1PTPN1FFAR4UBE2MDCUN1D1

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
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-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 ADH1B 705/4885ADH1C 297/4885ADH1A 879/4885

“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.