SCHEMBL2581430

SCHEMBL2581430

O=C1OC(c2ccccc2)CCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.39
HSD11B1 P28845 2/20 0.36
CA2 P00918 1/20 0.36
PTGS1 P23219 8/20 0.35
PTGS2 P35354 7/20 0.35
CETP P11597 2/20 0.35
CCR3 P51677 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31

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
SCHEMBL2576146 0.79 PTGS1 (0.38) CA2PTGS1PTGS2DDB1CRBN
SCHEMBL2579885 0.77 GRIN1 (0.40) CA2PTGS1PTGS2
SCHEMBL4919757 0.77 PTGS1 (0.41) CA2PTGS1PTGS2
SCHEMBL4914436 0.75 PTGS1 (0.39) CA2PTGS1PTGS2
SCHEMBL1966561 0.75 PTGS1 (0.39) CA2PTGS1PTGS2DDB1CRBN
SCHEMBL2582267 0.75 HSD11B1 (0.46) FADS1HSD11B1CETPDDB1CRBN
SCHEMBL1967281 0.73 MAPT (0.54) CA2PTGS1PTGS2OGFRL1
SCHEMBL16862444 0.73 CA2 (0.38) CA2PTGS1PTGS2CCR3DDB1
SCHEMBL2580811 0.73 FADS1 (0.36) FADS1HSD11B1CETP
SCHEMBL513334 0.73 CA2 (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 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 FADS1 1981/4885HSD11B1 237/4885CA2 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.