SCHEMBL21708323

SCHEMBL21708323

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
HTR1A P08908 5/20 0.38
HTR7 P34969 5/20 0.38
DRD2 P14416 4/20 0.38
HTR2A P28223 4/20 0.38
DRD3 P35462 5/20 0.37
HTR6 P50406 3/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
NR1H2 P55055 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NR1I2 O75469 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL21708331 0.85 EP300 (0.42) KEAP1NFE2L2PTGESALOX5NR1H2
SCHEMBL21734429 0.85 KEAP1 (0.48) HRH3KEAP1NFE2L2HTR1AHTR7
SCHEMBL21708290 0.85 HRH3 (0.40) HRH3KEAP1NFE2L2HTR1AHTR7
SCHEMBL21734444 0.84 HTR1A (0.41) HRH3KEAP1NFE2L2HTR1AHTR7
SCHEMBL21708218 0.84 TGFBR1 (0.49)
SCHEMBL21708216 0.81 KEAP1 (0.39) KEAP1NFE2L2HPGDKMT2APTGES
SCHEMBL21734430 0.80 KEAP1 (0.44) KEAP1NFE2L2HTR7HTR2AHTR6
SCHEMBL21708214 0.79 KEAP1 (0.47) KEAP1NFE2L2HTR1AHTR7DRD2
SCHEMBL21734437 0.79 KEAP1 (0.47) KEAP1NFE2L2HTR1AHTR7DRD2
SCHEMBL21708267 0.79 KEAP1 (0.43) KEAP1NFE2L2HTR1AHTR7DRD2

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 POLB 4273/4885HRH3 1652/4885KEAP1 3844/4885

“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.