SCHEMBL1542497

SCHEMBL1542497

COc1ncccc1-c1cc(C(C)(C)C)cc(CCc2ccc(NS(C)(=O)=O)cc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
TRPV1 Q8NER1 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL1542519 0.89 CYP3A4 (0.47) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542384 0.87 CYP3A4 (0.44) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542575 0.84 CYP19A1 (0.38)
SCHEMBL1542324 0.79 CYP3A4 (0.62) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL2130058 0.78 CYP3A4 (0.69) CYP3A4
SCHEMBL3425300 0.78 CYP3A4 (0.49) CYP3A4TRPV1
SCHEMBL2746103 0.76 CYP3A4 (0.49) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542918 0.73 CYP17A1 (0.36) CYP3A4TRPV1
SCHEMBL1542674 0.73 CYP3A4 (0.59) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1543262 0.71 CYP3A4 (0.49) CYP3A4

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 5 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 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 528/4885TRPV1 4645/4885EPHX2 3098/4885

“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.