SCHEMBL21708273

SCHEMBL21708273

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HTR6 P50406 1/20 0.41
LMNA P02545 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
KEAP1 Q14145 4/20 0.39
NFE2L2 Q16236 4/20 0.39
HTT P42858 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ACHE P22303 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
SCHEMBL21734434 0.89 TSHR (0.41) TSHRHTR6LMNAHTR2AHTR2C
SCHEMBL21734429 0.89 KEAP1 (0.48) TSHRHTR6LMNAHTR2AHTR2C
SCHEMBL21708267 0.89 KEAP1 (0.43) TSHRHTR6LMNAHTR2AHTR2C
SCHEMBL21708321 0.87 KEAP1 (0.42) TSHRHTR6LMNAHTR2AHTR2C
SCHEMBL21708214 0.87 KEAP1 (0.47) TSHRHTR6LMNAHTR2AHTR2C
SCHEMBL21708343 0.86 LMNA (0.41) TSHRLMNAAVPR2OXTRAVPR1A
SCHEMBL21708221 0.86 KEAP1 (0.40) HTR6HTR2AHTR7HTR1ASLC6A4
SCHEMBL21734430 0.86 KEAP1 (0.44) TSHRHTR6LMNAHTR2AHTR2C
SCHEMBL21708319 0.85 SMN1; SMN2 (0.42) TSHRHTR6HTR2AHTR2CHTR7
SCHEMBL21734437 0.83 KEAP1 (0.47) TSHRHTR6HTR2AHTR2CHTR7

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 TSHR 3540/4885HTR6 4357/4885LMNA 970/4885

“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.