SCHEMBL2582217

SCHEMBL2582217

CC1(C)COC(=S)N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.39
PTGS2 P35354 6/20 0.39
CA2 P00918 1/20 0.37
SLC22A12 Q96S37 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL24370477 0.78 PTGS1 (0.42) PTGS1PTGS2CA2SLC22A12
SCHEMBL514838 0.77 PTGS1 (0.38) PTGS1PTGS2CA2
SCHEMBL4919572 0.77 PTGS1 (0.41) PTGS1PTGS2CA2SLC22A12LTB4R
SCHEMBL4914436 0.77 PTGS1 (0.39) PTGS1PTGS2CA2SLC22A12
SCHEMBL2587032 0.76
SCHEMBL4918542 0.76 PTGS1 (0.40) PTGS1PTGS2CA2SLC22A12
SCHEMBL4920097 0.75 PTGS1 (0.40) PTGS1PTGS2CA2
SCHEMBL1964598 0.75 PTGS1 (0.39) PTGS1PTGS2CA2SLC22A12
SCHEMBL27814964 0.75 PTGS1 (0.43) PTGS1PTGS2CA2
SCHEMBL513962 0.74 PTGS1 (0.39) PTGS1PTGS2CA2SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048825-B2 Haloalkylsulfonanilide derivatives or salt thereof, herbicide comprising the derivatives as active ingredient, and use of the herbicide NIHON NOHYAKU CO., LTD. (JP) 2011-11-01 US disclosed
US-20100016164-A1 HALOALKYLSULFONANILIDE DERIVATIVES OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVES AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE NIHON NOHYAKU CO., LTD. (JP) 2010-01-21 US disclosed
EP-2085392-A1 HALOALKYLSULFONANILIDE DERIVATIVE OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE Nihon Nohyaku CO., LTD. (JP) 2009-08-05 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-20100016164-A1 HALOALKYLSULFONANILIDE DERIVATIVES OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVES AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE HDHD5, CBR3, DHRS9 PTGS1 3079/4885PTGS2 3848/4885CA2 46/4885

“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.