SCHEMBL21708301

SCHEMBL21708301

CC(C)c1ccc(N(CC2CCN(C(=O)OC(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.46
TGFBR1 P36897 11/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
STS P08842 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
SFRP1 Q8N474 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL21708316 0.88 LIMK2 (0.47) LIMK2TGFBR1KDM4EPKMSTS
SCHEMBL21708218 0.88 TGFBR1 (0.49) LIMK2TGFBR1KDM4EPKMSTS
SCHEMBL21708262 0.87 TGFBR1 (0.49) LIMK2TGFBR1KDM4EPKMSTS
SCHEMBL21708367 0.86 MMP13 (0.47) LIMK2TGFBR1ALDH1A1MAPTMAPK1
SCHEMBL21708290 0.82 HRH3 (0.40) ALDH1A1
SCHEMBL21708274 0.82 TGFBR1 (0.48) LIMK2TGFBR1STSGPR119
SCHEMBL21708354 0.82 KEAP1 (0.47) LIMK2TGFBR1STSGPR119
SCHEMBL21708294 0.81 TGFBR1 (0.47) LIMK2TGFBR1STSGPR119
SCHEMBL21708299 0.81 KEAP1 (0.35) ALDH1A1MAPTKDM4E
SCHEMBL21708229 0.79 KEAP1 (0.38) MAPTKDM4E

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 LIMK2 2539/4885TGFBR1 3849/4885NPC1 49/4885

“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.