SCHEMBL2492071

SCHEMBL2492071

COCc1cc(NS(C)(=O)=O)ccc1C=Cc1cc(-c2cnc(OC)[nH]c2=O)cc(C(C)(C)C)c1OC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
CRBN Q96SW2 1/20 0.38
FYN P06241 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
MET P08581 2/20 0.32
BRD4 O60885 2/20 0.31
CYP17A1 P05093 4/20 0.31
PDE10A Q9Y233 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
SCHEMBL2492065 1.00 CYP3A4 (0.55) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL13263484 0.89 CYP3A4 (0.57) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL2488740 0.87 CYP3A4 (0.71) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL2488735 0.87 CYP3A4 (0.71) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL1764383 0.86 CYP3A4 (0.57) CYP3A4CRBNBRD4
SCHEMBL2127692 0.86 CYP3A4 (0.57) CYP3A4CRBNBRD4CYP17A1
SCHEMBL2509935 0.86 CYP3A4 (0.57) CYP3A4CRBNMETBRD4
SCHEMBL1543016 0.86 CYP3A4 (0.57) CYP3A4CRBNBRD4CYP17A1
SCHEMBL1542667 0.86 CYP3A4 (0.57) CYP3A4CRBNBRD4
SCHEMBL2509939 0.86 CYP3A4 (0.57) CYP3A4CRBNMETBRD4

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-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US claimed
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-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-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

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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 CYP3A4 978/4885CRBN 1341/4885FYN 3716/4885

“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.