SCHEMBL21708249

SCHEMBL21708249

COc1ccc(N(CC2CCCN(C(=O)OC(C)(C)C)C2)S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT7 O95251 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
KEAP1 Q14145 4/20 0.45
NFE2L2 Q16236 2/20 0.45
ACKR3 P25106 1/20 0.44
BCHE P06276 2/20 0.42
HTR6 P50406 2/20 0.42
USP30 Q70CQ3 1/20 0.42
TGFBR1 P36897 2/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
SCN9A Q15858 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
APLNR P35414 1/20 0.40
CHEK2 O96017 1/20 0.40
STS P08842 1/20 0.39

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
SCHEMBL21708262 0.90 TGFBR1 (0.49) KEAP1NFE2L2TGFBR1PKMMMP1
SCHEMBL21734420 0.86 KEAP1 (0.48) KEAP1NFE2L2TSHRPOLB
SCHEMBL21708274 0.85 TGFBR1 (0.48) KEAP1NFE2L2TGFBR1MMP1MMP9
SCHEMBL21708354 0.85 KEAP1 (0.47) KEAP1NFE2L2TGFBR1MMP1MMP9
SCHEMBL21708294 0.84 TGFBR1 (0.47) KEAP1NFE2L2TGFBR1MMP1MMP9
SCHEMBL21734426 0.84 TGFBR1 (0.47) KEAP1NFE2L2TGFBR1MMP1MMP9
SCHEMBL21708266 0.84 TGFBR1 (0.47) KEAP1NFE2L2TGFBR1MMP1MMP9
SCHEMBL21734418 0.82 KEAP1 (0.46) KEAP1NFE2L2BCHEHTR6TSHR
SCHEMBL21708367 0.82 MMP13 (0.47) TGFBR1ALDH1A1PKMMMP13TSHR
SCHEMBL21708330 0.81 TGFBR1 (0.47) KEAP1NFE2L2TGFBR1PKMTSHR

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 KAT7 1996/4885KAT8 1114/4885KEAP1 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.