SCHEMBL1542297

SCHEMBL1542297

COc1c(CC(C)(CO)c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.73
CRBN Q96SW2 1/20 0.37
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
NR3C2 P08235 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
BRD4 O60885 1/20 0.32
EP300 Q09472 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL1542451 0.92 CYP3A4 (0.73) CYP3A4CRBNJAK2JAK1TYK2
SCHEMBL1542698 0.86 CYP3A4 (0.72) CYP3A4CRBNJAK2JAK1TYK2
SCHEMBL1542495 0.84 CYP3A4 (0.77) CYP3A4CRBNBRD4EP300
SCHEMBL1542581 0.84 CYP3A4 (1.00) CYP3A4CRBNTRPV1BRD4EP300
SCHEMBL1542672 0.83 CYP3A4 (0.71) CYP3A4CRBNJAK2JAK1TYK2
SCHEMBL1542682 0.82 CYP3A4 (0.69) CYP3A4CRBNEP300IKBKBCHUK
SCHEMBL1542988 0.81 CYP3A4 (0.81) CYP3A4CRBNBRD4EP300
SCHEMBL1542230 0.81 CYP3A4 (0.70) CYP3A4CRBNEP300
SCHEMBL1542304 0.80 CYP3A4 (0.79) CYP3A4CRBNBRD4EP300EPHX2
SCHEMBL1542258 0.80 CYP3A4 (0.71) CYP3A4CRBNJAK2JAK1TYK2

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-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US claimed
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
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885CRBN 1397/4885JAK2 526/4885

“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.