SCHEMBL21708293

SCHEMBL21708293

COc1ccc(N(CC2CCN(C(=O)O)C(C(C)(C)C)C2)S(=O)(=O)c2ccccc2)c(-c2cccc(F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 7/20 0.41
NFE2L2 Q16236 6/20 0.41
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM3 P20309 2/20 0.36
KCNQ1 P51787 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
HTR6 P50406 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
SCHEMBL21708264 0.96 KEAP1 (0.41) KEAP1NFE2L2TSHRKMT2AHTT
SCHEMBL21708260 0.93 KEAP1 (0.47) KEAP1NFE2L2TSHRKMT2AHTT
SCHEMBL21708272 0.93 KEAP1 (0.42) KEAP1NFE2L2TSHRKMT2APOLB
SCHEMBL21708353 0.93 KEAP1 (0.46) KEAP1NFE2L2KMT2AMAPT
SCHEMBL21708329 0.89 TSHR (0.38) KEAP1NFE2L2TSHRKMT2AHTT
SCHEMBL21708295 0.87 KEAP1 (0.39) KEAP1NFE2L2TSHRKMT2APOLB
SCHEMBL21708366 0.86 KEAP1 (0.40) KEAP1NFE2L2TSHRKMT2AHTT
SCHEMBL21708294 0.84 TGFBR1 (0.47) KEAP1NFE2L2TSHR
SCHEMBL21708321 0.82 KEAP1 (0.42) KEAP1NFE2L2TSHRKMT2AHTT
SCHEMBL21708216 0.82 KEAP1 (0.39) KEAP1NFE2L2KMT2ASMN1; SMN2

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 3888/4885TSHR 3540/4885

“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.