SCHEMBL2487205

SCHEMBL2487205

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2C(=O)O)cc(-c2ccn[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
CRBN Q96SW2 1/20 0.37
FABP4 P15090 10/20 0.35
FABP5 Q01469 10/20 0.35
FYN P06241 1/20 0.32
TP53 P04637 1/20 0.32
PTPN5 P54829 1/20 0.32
FABP3 P05413 1/20 0.32
ATM Q13315 1/20 0.32
MET P08581 1/20 0.31
CYP17A1 P05093 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
SCHEMBL2487208 1.00 CYP3A4 (0.56) CYP3A4CRBNFABP4FABP5FYN
SCHEMBL2489645 0.87 CYP3A4 (0.73) CYP3A4CRBNFYNCYP17A1
SCHEMBL2489644 0.87 CYP3A4 (0.73) CYP3A4CRBNFYNCYP17A1
SCHEMBL2127426 0.86 CYP3A4 (0.76) CYP3A4CRBNFABP4FABP5FYN
SCHEMBL1542807 0.86 CYP3A4 (0.76) CYP3A4CRBNFABP4FABP5FYN
SCHEMBL2128650 0.86 CYP3A4 (0.57) CYP3A4CRBNFABP4FABP5FYN
SCHEMBL1542277 0.86 CYP3A4 (0.57) CYP3A4CRBNFABP4FABP5FYN
SCHEMBL2128644 0.86 CYP3A4 (0.57) CYP3A4CRBNFABP4FABP5FYN
SCHEMBL2127429 0.86 CYP3A4 (0.57) CYP3A4CRBNFABP4FABP5FYN
SCHEMBL2128039 0.83 CYP3A4 (0.57) CYP3A4CRBNFABP4FABP5FABP3

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 9 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-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-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 (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 1341/4885FABP4 4854/4885

“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.