SCHEMBL3584813

SCHEMBL3584813

CC(C)(C)n1sc2c(Cl)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.53
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
DAO P14920 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
CASP3 P42574 3/20 0.33
CASP7 P55210 2/20 0.33
PMM2 O15305 3/20 0.33
MPI P34949 3/20 0.33
PHOSPHO1 Q8TCT1 3/20 0.33
PDE7A Q13946 1/20 0.33
G6PD P11413 2/20 0.33
KAT2B Q92831 1/20 0.32

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
SCHEMBL1123066 0.72 CASP3 (0.58) CASP3PMM2MPIPHOSPHO1G6PD
SCHEMBL8370722 0.70 MIF (0.79) MIFCASP3PMM2MPIPHOSPHO1
SCHEMBL17191872 0.67 CA12 (0.40) CA12CA1CA9
SCHEMBL11372514 0.62 CYP1A2 (0.46) MIFDAOCYP1A2CYP2A6
SCHEMBL8444760 0.62 KAT2B (0.47) CA12CA1CA9KAT2B
SCHEMBL3576624 0.61 CA12 (0.35) MIFCA12CA1CA9DAO
SCHEMBL20246530 0.60 MIF (0.50) MIFCA12CA1CA9CYP2A6
SCHEMBL6002962 0.60 CYP1A2 (0.38) MIFCYP1A2CYP2A6
SCHEMBL29908309 0.60 CYP2A6 (0.42) MIFCYP1A2CYP2A6
SCHEMBL787846 0.60 CYP2A6 (0.42) MIFCYP1A2CYP2A6

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 2 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
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 MIF 2416/4885CA12 4693/4885CA1 4732/4885

“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.