SCHEMBL513997

SCHEMBL513997

CC1OCCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.39
PTGS2 P35354 5/20 0.39
CA2 P00918 1/20 0.37
TACR1 P25103 1/20 0.34
VCP P55072 1/20 0.32
ELANE P08246 1/20 0.32

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 0.79 CA2 (0.39) PTGS1PTGS2CA2VCP
SCHEMBL16589760 0.78 NPSR1 (0.45)
SCHEMBL1964543 0.77 PTGS1 (0.40) PTGS1PTGS2CA2
SCHEMBL1966561 0.77 PTGS1 (0.39) PTGS1PTGS2CA2
SCHEMBL16862444 0.77 CA2 (0.38) PTGS1PTGS2CA2
SCHEMBL2576146 0.77 PTGS1 (0.38) PTGS1PTGS2CA2
SCHEMBL2579885 0.76 GRIN1 (0.40) PTGS1PTGS2CA2
SCHEMBL4914436 0.75 PTGS1 (0.39) PTGS1PTGS2CA2
SCHEMBL514430 0.74 CA2 (0.39) PTGS1PTGS2CA2VCP
SCHEMBL4919757 0.74 PTGS1 (0.41) PTGS1PTGS2CA2

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 PTGS1 3479/4885PTGS2 4244/4885CA2 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.