SCHEMBL1542852

SCHEMBL1542852

COc1ccc(-c2cc(/C=C/c3ccc(NS(C)(=O)=O)cc3CO)c(OC)c(C(C)(C)C)c2)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
CRBN Q96SW2 1/20 0.39
NR3C1 P04150 2/20 0.31
BRD4 O60885 1/20 0.31
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
EPHX2 P34913 2/20 0.30
PPARG P37231 1/20 0.30
NR1H4 Q96RI1 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
SCHEMBL2127947 1.00 CYP3A4 (0.57) CYP3A4CRBNNR3C1BRD4FABP4
SCHEMBL2127692 0.92 CYP3A4 (0.57) CYP3A4CRBNBRD4
SCHEMBL3182942 0.92 CYP3A4 (0.57) CYP3A4CRBNBRD4
SCHEMBL3182955 0.92 CYP3A4 (0.57) CYP3A4CRBNBRD4
SCHEMBL1543016 0.92 CYP3A4 (0.57) CYP3A4CRBNBRD4
SCHEMBL1542277 0.87 CYP3A4 (0.57) CYP3A4CRBNNR3C1FABP4FABP5
SCHEMBL2127429 0.87 CYP3A4 (0.57) CYP3A4CRBNNR3C1FABP4FABP5
SCHEMBL1543246 0.87 CYP3A4 (0.76) CYP3A4CRBNNR3C1BRD4FABP4
SCHEMBL2130207 0.87 CYP3A4 (0.57) CYP3A4CRBNNR3C1BRD4JAK2
SCHEMBL2130203 0.87 CYP3A4 (0.57) CYP3A4CRBNNR3C1BRD4JAK2

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-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885CRBN 1397/4885NR3C1 1493/4885

“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.