SCHEMBL21708263

SCHEMBL21708263

COc1ccc(N(CC2CCNCC2)S(=O)(=O)c2cccc(F)c2)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.44
NFE2L2 Q16236 4/20 0.44
CHRM1 P11229 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.39
HTR6 P50406 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNA5 P22460 1/20 0.38
LMNA P02545 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
CYP11B1 P15538 1/20 0.36
EP300 Q09472 1/20 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
SCHEMBL21708286 0.95 KEAP1 (0.44) KEAP1NFE2L2CHRM1CHRM2CHRM3
SCHEMBL21708324 0.92 KEAP1 (0.51) KEAP1NFE2L2LMNAEP300
SCHEMBL21708350 0.91 KEAP1 (0.45) KEAP1NFE2L2CHRM1CHRM2CHRM3
SCHEMBL21708277 0.91 KEAP1 (0.49) KEAP1NFE2L2CHRM1CHRM2CHRM3
SCHEMBL21708319 0.87 SMN1; SMN2 (0.42) KEAP1NFE2L2PGRHTR6SMN1; SMN2
SCHEMBL21708302 0.85 CHRM1 (0.42) KEAP1NFE2L2CHRM1CHRM2CHRM3
SCHEMBL21708343 0.84 LMNA (0.41) KEAP1NFE2L2CHRM1LMNA
SCHEMBL21708359 0.82 KEAP1 (0.43) KEAP1NFE2L2LMNAEP300
SCHEMBL21708321 0.82 KEAP1 (0.42) KEAP1NFE2L2PGRHTR6SMN1; SMN2
SCHEMBL21708283 0.81 KEAP1 (0.48) KEAP1NFE2L2SMN1; SMN2LMNA

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 3888/4885CHRM1 4881/4885

“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.