SCHEMBL846614

SCHEMBL846614

COc1c(C2Cc3ccc(NS(C)(=O)=O)cc3CO2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.66
CRBN Q96SW2 1/20 0.37
NR3C1 P04150 11/20 0.34
PGR P06401 6/20 0.32
NR3C2 P08235 6/20 0.32
AR P10275 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
PRF1 P14222 1/20 0.31
BRD4 O60885 1/20 0.31
EP300 Q09472 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
SCHEMBL3403016 0.89 CYP3A4 (0.68) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL860118 0.85 CYP3A4 (0.65) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL725581 0.79 CYP3A4 (1.00) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL2112475 0.79 CYP3A4 (1.00) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL2111363 0.79 CYP3A4 (1.00) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL860562 0.76 CYP3A4 (0.57) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL482606 0.75 CYP3A4 (0.65) CYP3A4CRBNBRD4EP300
SCHEMBL12675758 0.73 CYP3A4 (0.81) CYP3A4CRBNBRD4EP300
SCHEMBL1542988 0.73 CYP3A4 (0.81) CYP3A4CRBNBRD4EP300
SCHEMBL1542495 0.73 CYP3A4 (0.77) CYP3A4CRBNNR3C1PGRAR

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 4 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

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.