SCHEMBL21708302

SCHEMBL21708302

COc1ccc(N(CC2CCNCC2)S(=O)(=O)c2ccccc2F)c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
PAX8 Q06710 1/20 0.38
CHRM3 P20309 3/20 0.37
CHRM2 P08172 2/20 0.37
EP300 Q09472 1/20 0.37
HTR6 P50406 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
AURKB Q96GD4 1/20 0.37
NPY5R Q15761 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL21708324 0.88 KEAP1 (0.51) KEAP1NFE2L2EP300KMT2A
SCHEMBL21708221 0.87 KEAP1 (0.40) KEAP1NFE2L2PAX8CHRM3HTR6
SCHEMBL21708277 0.87 KEAP1 (0.49) CHRM1KEAP1NFE2L2CHRM3CHRM2
SCHEMBL21708263 0.85 KEAP1 (0.44) CHRM1KEAP1NFE2L2CHRM3CHRM2
SCHEMBL21708350 0.85 KEAP1 (0.45) CHRM1KEAP1NFE2L2CHRM3CHRM2
SCHEMBL21708343 0.84 LMNA (0.41) CHRM1KEAP1NFE2L2JAK2JAK1
SCHEMBL21708286 0.84 KEAP1 (0.44) CHRM1KEAP1NFE2L2CHRM3CHRM2
SCHEMBL21708297 0.82 GPR119 (0.45) KMT2A
SCHEMBL21708359 0.78 KEAP1 (0.43) KEAP1NFE2L2EP300SLC6A2SLC6A4
SCHEMBL21708283 0.77 KEAP1 (0.48) KEAP1NFE2L2

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 4 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 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 CHRM1 4881/4885KEAP1 3844/4885NFE2L2 3888/4885

“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.