SCHEMBL21708229

SCHEMBL21708229

CC(C)c1ccc(N(CC2CCNCC2)S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP2D6 P10635 4/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
EP300 Q09472 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CHRM1 P11229 3/20 0.35
OPRD1 P41143 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL21708342 0.85 KEAP1 (0.39) KEAP1NFE2L2PTGESALOX5CYP2D6
SCHEMBL21708290 0.85 HRH3 (0.40) KEAP1NFE2L2PTGESALOX5LMNA
SCHEMBL21708331 0.84 EP300 (0.42) KEAP1NFE2L2PTGESALOX5EP300
SCHEMBL21708324 0.84 KEAP1 (0.51) KEAP1NFE2L2EP300LMNAMEN1
SCHEMBL21708359 0.82 KEAP1 (0.43) KEAP1NFE2L2PTGESALOX5CYP2D6
SCHEMBL21708301 0.79 LIMK2 (0.46) MAPTKDM4E
SCHEMBL21708350 0.78 KEAP1 (0.45) KEAP1NFE2L2CHRM1LMNAMEN1
SCHEMBL21708277 0.78 KEAP1 (0.49) KEAP1NFE2L2CHRM1LMNACHRM2
SCHEMBL21708263 0.76 KEAP1 (0.44) KEAP1NFE2L2EP300CHRM1LMNA
SCHEMBL21708286 0.76 KEAP1 (0.44) KEAP1NFE2L2CHRM1LMNAMEN1

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 KEAP1 3844/4885NFE2L2 3888/4885PTGES 4611/4885

“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.