SCHEMBL21708367

SCHEMBL21708367

CCOc1ccc(N(CC2CCN(C(=O)OC(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.47
GPR119 Q8TDV5 7/20 0.45
LIMK2 P53671 1/20 0.45
TGFBR1 P36897 3/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
YAP1 P46937 2/20 0.42
PKM P14618 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
SCHEMBL21708262 0.92 TGFBR1 (0.49) MMP13GPR119LIMK2TGFBR1KDM4E
SCHEMBL21708316 0.89 LIMK2 (0.47) GPR119LIMK2TGFBR1KDM4EYAP1
SCHEMBL21708218 0.87 TGFBR1 (0.49) GPR119LIMK2TGFBR1KDM4EPKM
SCHEMBL21708354 0.86 KEAP1 (0.47) MMP13GPR119LIMK2TGFBR1MEN1
SCHEMBL21708274 0.86 TGFBR1 (0.48) MMP13GPR119LIMK2TGFBR1MEN1
SCHEMBL21708301 0.86 LIMK2 (0.46) GPR119LIMK2TGFBR1KDM4EALDH1A1
SCHEMBL21708266 0.85 TGFBR1 (0.47) MMP13GPR119LIMK2TGFBR1
SCHEMBL21708294 0.85 TGFBR1 (0.47) MMP13GPR119LIMK2TGFBR1TSHR
SCHEMBL21734426 0.85 TGFBR1 (0.47) MMP13GPR119LIMK2TGFBR1TSHR
SCHEMBL21734444 0.84 HTR1A (0.41) HPGDALDH1A1MAPTTSHRKMT2A

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 MMP13 2608/4885GPR119 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.