SCHEMBL1764409

SCHEMBL1764409

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2F)cc(-c2cc(F)c[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.61
CRBN Q96SW2 1/20 0.39
KIT P10721 3/20 0.34
BRD4 O60885 6/20 0.33
KIF11 P52732 1/20 0.32
NR3C1 P04150 3/20 0.32
PGR P06401 2/20 0.32
NR3C2 P08235 2/20 0.32
EP300 Q09472 1/20 0.31
MET P08581 1/20 0.31
EPHX2 P34913 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
SCHEMBL1542974 1.00 CYP3A4 (0.61) CYP3A4CRBNKITBRD4KIF11
SCHEMBL1542609 0.90 CYP3A4 (0.75) CYP3A4CRBNKIF11NR3C1PGR
SCHEMBL1542606 0.90 CYP3A4 (0.75) CYP3A4CRBNKIF11NR3C1PGR
SCHEMBL2490522 0.90 CYP3A4 (0.59) CYP3A4CRBNKITBRD4KIF11
SCHEMBL2490521 0.90 CYP3A4 (0.59) CYP3A4CRBNKITBRD4KIF11
SCHEMBL2127313 0.89 CYP3A4 (0.57) CYP3A4CRBNBRD4NR3C1PGR
SCHEMBL1542621 0.89 CYP3A4 (0.57) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL2131353 0.89 CYP3A4 (0.57) CYP3A4CRBNBRD4NR3C1PGR
SCHEMBL2128041 0.89 CYP3A4 (0.57) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL2128039 0.89 CYP3A4 (0.57) CYP3A4CRBNNR3C1PGRNR3C2

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 10 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
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed
US-8383824-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2013-02-26 US disclosed
EP-2501679-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-09-26 EP disclosed
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
WO-2011061243-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 WO disclosed
US-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 US 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 (2 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-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HCCS, EIF2AK2, RNASE1 CYP3A4 60/4885CRBN 3075/4885KIT 3457/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885CRBN 1397/4885KIT 1862/4885

“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.