SCHEMBL21708330

SCHEMBL21708330

COc1ccc(N(CC2CCN(C(=O)OC(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c(-c2ccccc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.47
GPR119 Q8TDV5 6/20 0.45
LIMK2 P53671 1/20 0.44
STS P08842 2/20 0.43
TSHR P16473 1/20 0.42
BMP1 P13497 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL21708262 0.90 TGFBR1 (0.49) TGFBR1GPR119LIMK2STSTSHR
SCHEMBL21708274 0.90 TGFBR1 (0.48) TGFBR1GPR119LIMK2STSTSHR
SCHEMBL21708294 0.88 TGFBR1 (0.47) TGFBR1GPR119LIMK2STSTSHR
SCHEMBL21708354 0.88 KEAP1 (0.47) TGFBR1GPR119LIMK2STSBMP1
SCHEMBL21708297 0.87 GPR119 (0.45) TGFBR1GPR119LIMK2STSBMP1
SCHEMBL21708266 0.87 TGFBR1 (0.47) TGFBR1GPR119LIMK2STSKEAP1
SCHEMBL21734426 0.85 TGFBR1 (0.47) TGFBR1GPR119LIMK2STSTSHR
SCHEMBL21708273 0.84 TSHR (0.41) TSHRKEAP1NFE2L2
SCHEMBL21708367 0.82 MMP13 (0.47) TGFBR1GPR119LIMK2TSHRKDM4E
SCHEMBL21708343 0.81 LMNA (0.41) TSHRKEAP1NFE2L2JAK2JAK3

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 3849/4885GPR119 1505/4885LIMK2 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.