SCHEMBL5444394

SCHEMBL5444394

CC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.53
▸ PDK1 Q15118 1/20 0.51
▸ PDK2 Q15119 1/20 0.51
▸ PDK3 Q15120 1/20 0.51
▸ PDK4 Q16654 1/20 0.51
▸ ELANE P08246 1/20 0.49
▸ PRTN3 P24158 1/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ POLB P06746 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTGS1 P23219 5/20 0.45
▸ PTGS2 P35354 5/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41

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
SCHEMBL2732048 0.85 KMT2A (0.60) CA2POLBLMNAPTGS1PTGS2
SCHEMBL13602469 0.84 CA2 (0.44) CA2PDK1PDK2PDK3PDK4
SCHEMBL31518457 0.84 TSHR (0.57) CA2ELANEPRTN3MAPK1POLB
SCHEMBL11123377 0.84 CA2 (0.50) CA2PDK2MAPK1SMN1; SMN2POLB
SCHEMBL594 0.83 CA2 (0.53) CA2MAPK1SMN1; SMN2PTGS1PTGS2
SCHEMBL3353838 0.83 CA2 (0.57) CA2SMN1; SMN2POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL810 0.83 KMT2A (0.58) CA2POLBLMNAPTGS1PTGS2
SCHEMBL27575403 0.81 MEN1 (0.54) CA2MAPK1SMN1; SMN2POLBLMNA
SCHEMBL11123655 0.81 CA2 (0.51) CA2MAPK1SMN1; SMN2PTGS1PTGS2
SCHEMBL11123463 0.80 ALDH1A1 (0.48) CA2SMN1; SMN2L3MBTL1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238700-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (CH) 2007-10-11 — — 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-20070238700-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES NAT1, NGLY1, ELANE CA2 2100/4885PDK1 3942/4885PDK2 2904/4885

“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.

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