SCHEMBL1349044

SCHEMBL1349044

CC(C)(C)c1cc(C=Cc2ccc(NS(C)(=O)=O)cc2)c(O)c(-c2ccc(COCCO)[nH]c2=O)n1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL1349042 1.00 CYP3A4 (0.38) CYP3A4TRPV1
SCHEMBL1350078 0.79 CYP3A4 (0.57) CYP3A4TRPV1
SCHEMBL1348834 0.79 CYP3A4 (0.57) CYP3A4TRPV1
SCHEMBL2127579 0.79 CYP3A4 (0.64) CYP3A4TRPV1
SCHEMBL1542551 0.79 CYP3A4 (0.64) CYP3A4TRPV1
SCHEMBL8219660 0.74 CYP3A4 (0.33) CYP3A4
SCHEMBL2127641 0.71 CYP3A4 (0.65) CYP3A4TRPV1
SCHEMBL2127645 0.71 CYP3A4 (0.65) CYP3A4TRPV1
SCHEMBL1543266 0.71 CYP3A4 (0.65) CYP3A4TRPV1
SCHEMBL1542773 0.68 CYP3A4 (0.68) CYP3A4TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063072-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
US-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LI JIM 2011-03-24 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-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 CYP3A4 305/4885TRPV1 4388/4885

“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.