SCHEMBL21708331

SCHEMBL21708331

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 6/20 0.42
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
CHRM1 P11229 3/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CHRM3 P20309 1/20 0.37
NR1H2 P55055 3/20 0.37
CREBBP Q92793 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
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
NR1I2 O75469 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) KEAP1NFE2L2CHRM1PTGESALOX5
SCHEMBL21708323 0.85 POLB (0.40) KEAP1NFE2L2PTGESALOX5NR1H2
SCHEMBL21708324 0.84 KEAP1 (0.51) EP300KEAP1NFE2L2LMNA
SCHEMBL21708229 0.84 KEAP1 (0.38) EP300KEAP1NFE2L2CHRM1PTGES
SCHEMBL21708359 0.82 KEAP1 (0.43) EP300KEAP1NFE2L2PTGESALOX5
SCHEMBL21708218 0.81 TGFBR1 (0.49)
SCHEMBL21708216 0.78 KEAP1 (0.39) KEAP1NFE2L2PTGESALOX5NR1H2
SCHEMBL21708350 0.78 KEAP1 (0.45) KEAP1NFE2L2CHRM1CHRM3LMNA
SCHEMBL21708277 0.78 KEAP1 (0.49) KEAP1NFE2L2CHRM1CHRM3LMNA
SCHEMBL21708263 0.76 KEAP1 (0.44) EP300KEAP1NFE2L2CHRM1CHRM3

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 EP300 2397/4885KEAP1 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.