SCHEMBL1542679

SCHEMBL1542679

COc1c(CCc2ccc(NS(C)(=O)=O)nn2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.71
CRBN Q96SW2 1/20 0.33
ALPL P05186 1/20 0.31

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
SCHEMBL1542870 0.88 CYP3A4 (0.69) CYP3A4CRBN
SCHEMBL1543041 0.87 CYP3A4 (0.78) CYP3A4CRBNALPL
SCHEMBL1542813 0.86 CYP3A4 (0.77) CYP3A4CRBN
SCHEMBL1542898 0.85 CYP3A4 (0.59) CYP3A4
SCHEMBL1542581 0.83 CYP3A4 (1.00) CYP3A4CRBN
SCHEMBL1542490 0.83 CYP3A4 (0.77) CYP3A4CRBNALPL
SCHEMBL1542988 0.82 CYP3A4 (0.81) CYP3A4CRBN
SCHEMBL2128400 0.82 CYP3A4 (0.84) CYP3A4CRBN
SCHEMBL1542304 0.81 CYP3A4 (0.79) CYP3A4CRBN
SCHEMBL1542721 0.80 CYP3A4 (0.78) CYP3A4CRBNALPL

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
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885CRBN 1397/4885ALPL 4367/4885

“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.