SCHEMBL24875985

SCHEMBL24875985

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.47
MMP3 P08254 2/20 0.47
CYP17A1 P05093 3/20 0.43
RORC P51449 6/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
PSMB8 P28062 1/20 0.42
MAP4K4 O95819 1/20 0.41
GRM2 Q14416 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL18165108 0.83 CA12 (0.48) MMP8MMP3CYP17A1RORCCA12
SCHEMBL1440700 0.81 CA12 (0.47) MMP8MMP3CYP17A1RORCCA12
SCHEMBL632848 0.80 MEN1 (0.54) CYP17A1CA12CA1CA9PSMB8
SCHEMBL21362448 0.80 ABCC9 (0.42) MMP8MMP3CYP17A1RORCCA12
SCHEMBL21362531 0.78 RORC (0.40) MMP8MMP3CYP17A1RORCCA12
SCHEMBL29428015 0.78 CA12 (0.47) MMP8MMP3CYP17A1CA12CA1
SCHEMBL1137026 0.78 CA12 (0.47) MMP8MMP3CYP17A1CA12CA1
SCHEMBL31679834 0.77 PRKDC (0.56) RORC
SCHEMBL24876281 0.77 PRKDC (0.56) RORC
SCHEMBL6096909 0.76 CA1 (0.48) CYP17A1CA12CA1CA9PSMB8

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
EP-4367103-B1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-09-03 EP disclosed
EP-4367103-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-05-15 EP disclosed
WO-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 WO disclosed
WO-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 WO disclosed