SCHEMBL1764326

SCHEMBL1764326

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2cn(C)c(=O)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.69
CRBN Q96SW2 1/20 0.42
BRD4 O60885 8/20 0.33
TRPV1 Q8NER1 2/20 0.32
PADI4 Q9UM07 1/20 0.32
TNFRSF1A P19438 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 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
SCHEMBL1764328 1.00 CYP3A4 (0.69) CYP3A4CRBNBRD4TRPV1PADI4
SCHEMBL482573 0.87 CYP3A4 (0.75) CYP3A4CRBNTRPV1PADI4TNFRSF1A
SCHEMBL482574 0.87 CYP3A4 (0.75) CYP3A4CRBNTRPV1PADI4TNFRSF1A
SCHEMBL6832576 0.86 CYP3A4 (0.49) CYP3A4TNFRSF1A
SCHEMBL2127697 0.85 CYP3A4 (0.75) CYP3A4CRBNBRD4TRPV1PADI4
SCHEMBL2127702 0.85 CYP3A4 (0.75) CYP3A4CRBNBRD4TRPV1PADI4
SCHEMBL2130386 0.83 CYP3A4 (0.64) CYP3A4CRBNBRD4
SCHEMBL2488740 0.83 CYP3A4 (0.71) CYP3A4CRBNTRPV1PADI4
SCHEMBL2488735 0.83 CYP3A4 (0.71) CYP3A4CRBNTRPV1PADI4
SCHEMBL2491418 0.83 CYP3A4 (0.69) CYP3A4CRBNBRD4TRPV1PADI4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US claimed
US-8383824-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2013-02-26 US disclosed
EP-2501679-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-09-26 EP disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2011061243-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 WO disclosed
US-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 US disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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 (2 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-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HCCS, EIF2AK2, RNASE1 CYP3A4 60/4885CRBN 3075/4885BRD4 1307/4885
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 CYP3A4 978/4885CRBN 1341/4885BRD4 1073/4885

“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.