SCHEMBL21708221

SCHEMBL21708221

CCN1CCC(CN(c2ccc(OC)cc2-c2ccccc2)S(=O)(=O)c2ccccc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CNR2 P34972 1/20 0.39
HTR1A P08908 2/20 0.39
SLC6A4 P31645 1/20 0.39
PAX8 Q06710 1/20 0.39
HTR6 P50406 3/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
ACHE P22303 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
CHRM3 P20309 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
SCHEMBL21734429 0.89 KEAP1 (0.48) KEAP1NFE2L2HTR1AHTR6ACHE
SCHEMBL21708214 0.89 KEAP1 (0.47) KEAP1NFE2L2HTR1AHTR6DRD2
SCHEMBL21708302 0.87 CHRM1 (0.42) KEAP1NFE2L2SLC6A4PAX8HTR6
SCHEMBL21708319 0.87 SMN1; SMN2 (0.42) KEAP1NFE2L2HTR1AHTR6DRD2
SCHEMBL21734694 0.87 POLB (0.41) KEAP1NFE2L2HTR1AHTR6ACHE
SCHEMBL21708267 0.87 KEAP1 (0.43) KEAP1NFE2L2HTR1AHTR6DRD2
SCHEMBL21708297 0.86 GPR119 (0.45)
SCHEMBL21708273 0.86 TSHR (0.41) KEAP1NFE2L2HTR1ASLC6A4HTR6
SCHEMBL21708321 0.85 KEAP1 (0.42) KEAP1NFE2L2HTR1AHTR6ACHE
SCHEMBL21734437 0.85 KEAP1 (0.47) KEAP1NFE2L2CNR2HTR1AHTR6

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 6 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 claimed
EP-3611161-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY National University Corporation Hokkaido University (JP) 2020-02-19 EP claimed
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 3888/4885CNR2 3104/4885

“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.