SCHEMBL514430

SCHEMBL514430

O=C1CCOCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
PTGS1 P23219 9/20 0.38
PTGS2 P35354 8/20 0.38
VCP P55072 1/20 0.35
AGTR2 P50052 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.30

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
SCHEMBL513334 0.81 CA2 (0.39) CA2PTGS1PTGS2VCP
SCHEMBL1964848 0.81 L3MBTL1 (0.47) CA2PTGS1PTGS2AGTR2
SCHEMBL513962 0.79 PTGS1 (0.39) CA2PTGS1PTGS2
SCHEMBL2579885 0.77 GRIN1 (0.40) CA2PTGS1PTGS2
SCHEMBL515027 0.74 CA2 (0.39) CA2PTGS1PTGS2
SCHEMBL513997 0.74 PTGS1 (0.39) CA2PTGS1PTGS2VCP
SCHEMBL24370477 0.74 PTGS1 (0.42) CA2PTGS1PTGS2AGTR2
SCHEMBL1963457 0.74 PTGS1 (0.42) CA2PTGS1PTGS2AGTR2
SCHEMBL1967281 0.73 MAPT (0.54) CA2PTGS1PTGS2
SCHEMBL1966561 0.73 PTGS1 (0.39) CA2PTGS1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.