SCHEMBL3548006

SCHEMBL3548006

COc1ccc2c(c1)OC(=O)N(c1ccc(OS(N)(=O)=O)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.50
CA2 P00918 8/20 0.46
CA9 Q16790 6/20 0.46
CA1 P00915 4/20 0.46
HSD17B3 P37058 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
STS P08842 6/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 3/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL3543201 0.95 MIF (0.50) MIFCA2CA9CA1HSD17B3
SCHEMBL3545608 0.93 MIF (0.46) MIFCA2CA9CA1STS
SCHEMBL13166570 0.90 MIF (0.44) MIFCA2CA9CA1POLB
SCHEMBL3544246 0.86 MIF (0.53) MIFCA2CA9CA1HSD17B3
SCHEMBL3551113 0.86 MIF (0.58) MIFCA2CA9CA1HSD17B3
SCHEMBL2766273 0.86 STS (0.43) MIFCA2CA9CA1STS
SCHEMBL3546808 0.83 CA2 (0.45) MIFCA2CA9CA1STS
SCHEMBL3547917 0.83 MIF (0.67) MIFCA2HSD17B3NPC1RAB9A
SCHEMBL2765545 0.83 MIF (0.53) MIFHSD17B3NPC1RAB9APOLB
SCHEMBL3544385 0.80 MIF (0.44) MIFCA2CA9CA1POLB

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-7795251-B2 3,4-dihydro-benzo[e][1,3]oxazin-2-ones NOVARTIS AG (CH) 2010-09-14 US disclosed
US-20090156588-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES NOVARTIS AG (CH) 2009-06-18 US disclosed
EP-1874742-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108671-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES NOVARTIS AG (CH) 2006-10-19 WO 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-20090156588-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES CYP2C8, CYP2C18, CYP4B1 MIF 2538/4885CA2 1198/4885CA9 1774/4885

“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.