SCHEMBL21708321

SCHEMBL21708321

CCN1CCC(CN(c2ccc(OC)cc2-c2cccc(F)c2)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
HTR6 P50406 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HTR7 P34969 4/20 0.38
HTR2A P28223 3/20 0.38
HTR1A P08908 3/20 0.38
DRD2 P14416 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.38
HTR2C P28335 1/20 0.38
CHRM5 P08912 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL21708319 0.95 SMN1; SMN2 (0.42) KEAP1NFE2L2HTR6SMN1; SMN2TSHR
SCHEMBL21734429 0.92 KEAP1 (0.48) KEAP1NFE2L2HTR6TSHRHTT
SCHEMBL21708267 0.91 KEAP1 (0.43) KEAP1NFE2L2HTR6TSHRHTR7
SCHEMBL21708214 0.91 KEAP1 (0.47) KEAP1NFE2L2HTR6TSHRHTR7
SCHEMBL21708273 0.87 TSHR (0.41) KEAP1NFE2L2HTR6TSHRHTT
SCHEMBL21708286 0.87 KEAP1 (0.44) KEAP1NFE2L2HTR6SMN1; SMN2LMNA
SCHEMBL21734430 0.87 KEAP1 (0.44) KEAP1NFE2L2HTR6TSHRHTT
SCHEMBL21734437 0.86 KEAP1 (0.47) KEAP1NFE2L2HTR6TSHRHTT
SCHEMBL21708221 0.85 KEAP1 (0.40) KEAP1NFE2L2HTR6HTR7HTR2A
SCHEMBL21734444 0.84 HTR1A (0.41) KEAP1NFE2L2HTR6TSHRHTT

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 5 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
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 3888/4885HTR6 4357/4885

“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.