SCHEMBL2576146

SCHEMBL2576146

CC1CCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)OC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.38
PTGS2 P35354 6/20 0.38
CA2 P00918 1/20 0.36
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
POLB P06746 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
LMNA P02545 1/20 0.31
CNR2 P34972 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
SCHEMBL1966561 0.84 PTGS1 (0.39) PTGS1PTGS2CA2MAPTTSHR
SCHEMBL2579885 0.81 GRIN1 (0.40) PTGS1PTGS2CA2MAPTKDM4E
SCHEMBL2581430 0.79 FADS1 (0.39) PTGS1PTGS2CA2DDB1CRBN
SCHEMBL4920458 0.77 PTGS1 (0.41) PTGS1PTGS2CA2LTB4RLTB4R2
SCHEMBL513997 0.77 PTGS1 (0.39) PTGS1PTGS2CA2
SCHEMBL4914436 0.75 PTGS1 (0.39) PTGS1PTGS2CA2
SCHEMBL2578048 0.75 SIRT2 (0.41) MAPTTSHRACHEKDM4EPOLB
SCHEMBL4919757 0.74 PTGS1 (0.41) PTGS1PTGS2CA2PKMLMNA
SCHEMBL1964543 0.74 PTGS1 (0.40) PTGS1PTGS2CA2MAPTKDM4E
SCHEMBL1967281 0.73 MAPT (0.54) PTGS1PTGS2CA2MAPTKDM4E

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.