SCHEMBL1542479

SCHEMBL1542479

COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc(C)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.75
CRBN Q96SW2 1/20 0.41
DRD3 P35462 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL1542581 0.85 CYP3A4 (1.00) CYP3A4CRBNDRD3TRPV1
SCHEMBL1543003 0.85 CYP3A4 (0.53) CYP3A4
SCHEMBL1542380 0.83 CYP3A4 (0.76) CYP3A4CRBNDRD3
SCHEMBL1542399 0.82 CYP3A4 (0.75) CYP3A4CRBNDRD3
SCHEMBL1542319 0.82 CYP3A4 (0.75) CYP3A4CRBNDRD3
SCHEMBL2127702 0.80 CYP3A4 (0.75) CYP3A4CRBNTRPV1
SCHEMBL2127697 0.80 CYP3A4 (0.75) CYP3A4CRBNTRPV1
SCHEMBL2487216 0.79 CYP3A4 (0.72) CYP3A4CRBNDRD3
SCHEMBL2128632 0.79 CYP3A4 (0.47) CYP3A4CRBNTRPV1EPHX2NR1H4
SCHEMBL2130058 0.78 CYP3A4 (0.69) CYP3A4CRBNDRD3

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 8 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
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 1397/4885DRD3 1939/4885

“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.