SCHEMBL21708243

SCHEMBL21708243

COc1cccc(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.65
NFE2L2 Q16236 3/20 0.65
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH3A1 P30838 1/20 0.55
PGR P06401 2/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
FFAR4 Q5NUL3 1/20 0.53
SLC40A1 Q9NP59 2/20 0.53
GLO1 Q04760 1/20 0.52
RELA Q04206 1/20 0.52
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL21708236 0.91 MAPT (0.60) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL29470853 0.91 MAPT (0.65) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL8752415 0.91 MAPT (0.65) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL21708219 0.90 MAPT (0.54) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL21708265 0.89 MAPT (0.62) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL6224655 0.88 MAPT (0.53) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL21708322 0.88 MEN1 (0.60) KEAP1NFE2L2MAPTLMNAMEN1
Water SCHEMBL29037310 0.88 MAPT (0.61) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL6831954 0.86 MAPT (0.71) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL28702766 0.85 PGR (0.60) KEAP1NFE2L2MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-04-15 US disclosed
EP-3611161-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY National University Corporation Hokkaido University (JP) 2020-02-19 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-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY FLNA, FLNB, BRI3BP KEAP1 3844/4885NFE2L2 3888/4885MAPT 2599/4885

“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.