SCHEMBL21708366

SCHEMBL21708366

CCOc1ccc(N(CC2CCN(C(=O)O)C(C(C)(C)C)C2)S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL21708260 0.92 KEAP1 (0.47) KEAP1NFE2L2MAPTTSHRLMNA
SCHEMBL21708315 0.89 KEAP1 (0.36) KEAP1NFE2L2TP53ALOX5TSHR
SCHEMBL21708216 0.87 KEAP1 (0.39) KEAP1NFE2L2ALOX5NPC1ALDH1A1
SCHEMBL21708272 0.87 KEAP1 (0.42) KEAP1NFE2L2TSHRKMT2A
SCHEMBL21708353 0.87 KEAP1 (0.46) KEAP1NFE2L2MAPTALDH1A1MEN1
SCHEMBL21708293 0.86 KEAP1 (0.41) KEAP1NFE2L2MAPTTSHRHTT
SCHEMBL21708264 0.86 KEAP1 (0.41) KEAP1NFE2L2MAPTTSHRLMNA
SCHEMBL21708299 0.85 KEAP1 (0.35) KEAP1NFE2L2MAPTALOX5ALDH1A1
SCHEMBL21708367 0.82 MMP13 (0.47) MAPTTSHRALDH1A1L3MBTL1MEN1
SCHEMBL21734444 0.81 HTR1A (0.41) KEAP1NFE2L2MAPTTP53THRB

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 2 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
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 3888/4885MAPT 2599/4885

“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.