SCHEMBL3587515

SCHEMBL3587515

CC(C)(C)OC(=O)NC1CCN(S(N)(=O)=O)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.58
HSD11B1 P28845 9/20 0.52
CYP2C9 P11712 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
BRD4 O60885 2/20 0.48
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PARP1 P09874 1/20 0.41
KDM4D Q6B0I6 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
SCHEMBL28010843 1.00 CTSK (0.58) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL30136791 0.92 CA1 (0.57) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL25123847 0.91 CTSK (0.54) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL29160932 0.88 CTSK (0.58) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL29160931 0.88 CTSK (0.58) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL1700228 0.88 CTSK (0.58) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL12214163 0.88 CTSK (0.58) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL1350948 0.88 CTSK (0.58) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL27694939 0.88 CTSK (0.49) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL23959165 0.82 CTSK (0.49) CTSKHSD11B1CYP2C9CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN disclosed
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 EP disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 US disclosed
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E CTSK 2039/4885HSD11B1 1990/4885CYP2C9 252/4885

“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.