SCHEMBL860562

SCHEMBL860562

COc1c(C2=CCc3cc(NS(C)(=O)=O)ccc3O2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
CRBN Q96SW2 1/20 0.38
NR3C1 P04150 9/20 0.34
ABL1 P00519 5/20 0.33
PGR P06401 4/20 0.32
NR3C2 P08235 4/20 0.32
AR P10275 1/20 0.32
FYN P06241 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL3409233 0.81 CRBN (0.38) CYP3A4CRBNNR3C1ABL1PGR
SCHEMBL13030225 0.79 CYP3A4 (0.39) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL482606 0.79 CYP3A4 (0.65) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL860118 0.79 CYP3A4 (0.65) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL847054 0.77 CYP3A4 (0.59) CYP3A4CRBNARFYNTGFBR1
SCHEMBL846614 0.76 CYP3A4 (0.66) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL3403016 0.76 CYP3A4 (0.68) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL3406008 0.76 CYP3A4 (0.59) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL3405437 0.76 CYP3A4 (0.61) CYP3A4CRBNFYNTGFBR1ACVR1
SCHEMBL846776 0.74 CYP3A4 (0.61) CYP3A4CRBNFYNTGFBR1ACVR1

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 5 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
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 1212/4885NR3C1 1441/4885

“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.