SCHEMBL3576624

SCHEMBL3576624

CC(C)(C)n1c(=O)c2cccc(Cl)c2[s+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
DAO P14920 1/20 0.34
CA1 P00915 3/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
PDE7A Q13946 1/20 0.32
MIF P14174 1/20 0.31
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3581054 0.79 CA12 (0.41) CA12CA9CYP1A2HPGDKDM4E
SCHEMBL3582175 0.73 CA12 (0.40) CA12CA9CA1KDM4ETSHR
SCHEMBL3584813 0.61 MIF (0.53) CA12CA9DAOCA1CYP1A2
SCHEMBL30833537 0.56 GAA (0.56) CYP1A2CYP2A6HPGDKDM4EALDH1A1
1,2-Dichlorobenzene SCHEMBL29236100 0.55 TSHR (0.67) CYP1A2CYP2A6ALDH1A1TSHRMEN1
SCHEMBL29629127 0.54 CYP1A2 (1.00) DAOCYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL2468811 0.54 CYP1A2 (1.00) DAOCYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL16131514 0.54 HPGD (0.44) CYP1A2CYP2A6HPGDKDM4EALDH1A1
SCHEMBL25950771 0.53 CYP1A2 (0.59) DAOCYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL18242921 0.53 CYP1A2 (0.39) DAOCYP1A2CYP2A6HPGDALDH1A1

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-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
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 CA12 4693/4885CA9 3381/4885DAO 1519/4885

“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.