SCHEMBL847054

SCHEMBL847054

COc1c(-c2cc(=O)c3cc(NS(C)(=O)=O)ccc3o2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.59
CRBN Q96SW2 1/20 0.39
CYP1A1 P04798 1/20 0.39
TOP2A P11388 4/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 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
SCHEMBL3406008 0.87 CYP3A4 (0.59) CYP3A4CRBNCYP1A1TP53FYN
SCHEMBL482606 0.80 CYP3A4 (0.65) CYP3A4CRBNTP53FYNTGFBR1
SCHEMBL3405437 0.80 CYP3A4 (0.61) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL846776 0.79 CYP3A4 (0.61) CYP3A4CRBNNPC1RAB9AFYN
SCHEMBL860562 0.77 CYP3A4 (0.57) CYP3A4CRBNARFYNTGFBR1
SCHEMBL1542492 0.76 CYP3A4 (0.57) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL12675758 0.75 CYP3A4 (0.81) CYP3A4CRBNTSHRFYNTGFBR1
SCHEMBL1542988 0.75 CYP3A4 (0.81) CYP3A4CRBNKDM4ELMNAMAPT
SCHEMBL2128077 0.74 CYP3A4 (1.00) CYP3A4CRBN
SCHEMBL1542495 0.74 CYP3A4 (0.77) CYP3A4CRBNARHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432554-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-03-28 EP claimed
WO-2010133528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-25 WO claimed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 US claimed
WO-2010133528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-25 WO disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 US disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 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-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B CYP3A4 302/4885CRBN 1212/4885CYP1A1 254/4885

“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.