SCHEMBL21708359

SCHEMBL21708359

CCOc1ccc(N(CC2CCNCC2)S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
EP300 Q09472 1/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM1A O60341 2/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.36
ITGB3 P05106 4/20 0.36

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
SCHEMBL21708324 0.90 KEAP1 (0.51) KEAP1NFE2L2EP300MAPTMEN1
SCHEMBL21734444 0.87 HTR1A (0.41) KEAP1NFE2L2MAPTTP53THRB
SCHEMBL21708342 0.86 KEAP1 (0.39) KEAP1NFE2L2SLC6A2SLC6A4CYP2D6
SCHEMBL21708277 0.84 KEAP1 (0.49) KEAP1NFE2L2LMNA
SCHEMBL21708350 0.84 KEAP1 (0.45) KEAP1NFE2L2MEN1KMT2ALMNA
SCHEMBL21708263 0.82 KEAP1 (0.44) KEAP1NFE2L2EP300LMNA
SCHEMBL21708286 0.82 KEAP1 (0.44) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL21708229 0.82 KEAP1 (0.38) KEAP1NFE2L2EP300MAPTSLC6A2
SCHEMBL21708331 0.82 EP300 (0.42) KEAP1NFE2L2EP300PTGESALOX5
SCHEMBL21708283 0.79 KEAP1 (0.48) KEAP1NFE2L2LMNA

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 4 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
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
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 3888/4885EP300 2397/4885

“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.