SCHEMBL3585508

SCHEMBL3585508

CC(=O)N1CCN(S(=O)(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
PIK3CD O00329 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.38
CASP6 P55212 1/20 0.37
GFER P55789 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL6538821 0.81 CYP1A2 (0.52) CYP1A2TDP1KDM4ESMN1; SMN2KMT2A
SCHEMBL2105014 0.81 TDP1 (0.52) CYP1A2TDP1KMT2AMEN1ALDH1A1
SCHEMBL12303023 0.79 POLB (0.58) CYP1A2TDP1KDM4ESMN1; SMN2KMT2A
SCHEMBL2105010 0.79 CYP1A2 (0.50) CYP1A2TDP1KDM4ESMN1; SMN2KMT2A
SCHEMBL37407 0.79
SCHEMBL14407779 0.79 CYP1A2 (0.77) CYP1A2TDP1KDM4ESMN1; SMN2KMT2A
SCHEMBL860793 0.79 CYP1A2 (0.77) CYP1A2TDP1KDM4ESMN1; SMN2KMT2A
SCHEMBL973439 0.79 POLB (0.40) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1746338 0.79
SCHEMBL18711923 0.76 PIK3CD (0.47) CYP1A2TDP1KDM4ESMN1; SMN2KMT2A

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 10 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 claimed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN claimed
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 EP claimed
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 WO claimed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 US claimed
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
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 WO disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 US 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 CYP1A2 274/4885TDP1 2740/4885KDM4E 2075/4885

“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.