SCHEMBL1542618

SCHEMBL1542618

CC(C)(C)c1cc(C#Cc2ccc(NS(C)(=O)=O)cc2F)c(O)c(-c2ccc[nH]c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
EPHX2 P34913 2/20 0.38
PDPK1 O15530 1/20 0.34
BRD4 O60885 9/20 0.34
EP300 Q09472 4/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL1542310 0.76 CYP3A4 (0.47) CYP3A4EPHX2PDPK1BRD4EP300
SCHEMBL1542584 0.75 CYP3A4 (0.62) CYP3A4EPHX2PDPK1BRD4EP300
SCHEMBL2127415 0.75 CYP3A4 (0.62) CYP3A4EPHX2PDPK1BRD4EP300
SCHEMBL1542324 0.75 CYP3A4 (0.62) CYP3A4EPHX2EP300
SCHEMBL3765201 0.74 ALOX5AP (0.45) CYP3A4
SCHEMBL2128063 0.73 CYP3A4 (0.47) CYP3A4EPHX2PDPK1BRD4EP300
SCHEMBL2128070 0.73 CYP3A4 (0.47) CYP3A4EPHX2PDPK1BRD4EP300
SCHEMBL2128068 0.73 CYP3A4 (0.47) CYP3A4EPHX2PDPK1BRD4EP300
SCHEMBL726323 0.73 CYP3A4 (0.64) CYP3A4EPHX2PDPK1BRD4EP300
SCHEMBL2127134 0.72 CYP3A4 (0.48) CYP3A4PDPK1BRD4EP300

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
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
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO 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 528/4885EPHX2 3098/4885PDPK1 4145/4885

“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.