SCHEMBL21708274

SCHEMBL21708274

COc1ccc(N(CC2CCN(C(=O)OC(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.48
MMP13 P45452 4/20 0.44
LIMK2 P53671 1/20 0.43
MMP1 P03956 3/20 0.43
MMP3 P08254 3/20 0.43
MMP7 P09237 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP2 P08253 2/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
STS P08842 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL21708354 0.97 KEAP1 (0.47) TGFBR1MMP13LIMK2MMP1MMP3
SCHEMBL21708262 0.94 TGFBR1 (0.49) TGFBR1MMP13LIMK2MMP1MMP3
SCHEMBL21708266 0.92 TGFBR1 (0.47) TGFBR1MMP13LIMK2MMP1MMP3
SCHEMBL21708294 0.92 TGFBR1 (0.47) TGFBR1MMP13LIMK2MMP1MMP3
SCHEMBL21708330 0.90 TGFBR1 (0.47) TGFBR1LIMK2KEAP1NFE2L2GPR119
SCHEMBL21708297 0.88 GPR119 (0.45) TGFBR1MMP13LIMK2MMP1MMP3
SCHEMBL21734426 0.88 TGFBR1 (0.47) TGFBR1MMP13LIMK2MMP1MMP3
SCHEMBL21708367 0.86 MMP13 (0.47) TGFBR1MMP13LIMK2MEN1KMT2A
SCHEMBL21708249 0.85 KAT7 (0.47) TGFBR1MMP13MMP1MMP9KEAP1
SCHEMBL21708267 0.84 KEAP1 (0.43) KEAP1NFE2L2TSHR

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 TGFBR1 3849/4885MMP13 2608/4885LIMK2 2539/4885

“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.