SCHEMBL2579885

SCHEMBL2579885

O=C1OCCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.40
GRIN2B Q13224 6/20 0.40
CA2 P00918 1/20 0.39
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
PDK2 Q15119 2/20 0.36
GRM2 Q14416 2/20 0.35
PIK3CD O00329 1/20 0.35
MAPT P10636 2/20 0.34
PER2 O15055 1/20 0.33
CRY2 Q49AN0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NTRK1 P04629 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
SCHEMBL1967281 0.82 MAPT (0.54) CA2PTGS1PTGS2MAPTPER2
SCHEMBL2576146 0.81 PTGS1 (0.38) CA2PTGS1PTGS2MAPTKDM4E
SCHEMBL1964848 0.81 L3MBTL1 (0.47) CA2PTGS1PTGS2PER2KDM4E
SCHEMBL513334 0.79 CA2 (0.39) CA2PTGS1PTGS2PDK2PER2
SCHEMBL1963457 0.79 PTGS1 (0.42) CA2PTGS1PTGS2
SCHEMBL16862444 0.77 CA2 (0.38) CA2PTGS1PTGS2MAPTKDM4E
SCHEMBL2581430 0.77 FADS1 (0.39) CA2PTGS1PTGS2
SCHEMBL514430 0.77 CA2 (0.39) CA2PTGS1PTGS2
SCHEMBL513997 0.76 PTGS1 (0.39) CA2PTGS1PTGS2
SCHEMBL27834731 0.76 ALDH1A1 (0.49) CA2PTGS1PTGS2KDM4EALDH1A1

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 GRIN1 2962/4885GRIN2B 3538/4885CA2 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.