SCHEMBL2691332

SCHEMBL2691332

CC(C)(C)c1cc(-c2ccc[nH]c2=O)c2c(c1)C(Cc1ccc(NS(C)(=O)=O)cc1)OC2=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
NR3C1 P04150 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL6365525 0.82 CYP3A4 (0.49) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542367 0.75 CYP3A4 (0.62) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542324 0.75 CYP3A4 (0.62) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542619 0.75 CYP3A4 (0.67) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL2692577 0.74 CYP3A4 (0.50) CYP3A4
SCHEMBL1542811 0.73 CYP3A4 (0.58) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL726323 0.73 CYP3A4 (0.64) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542382 0.73 CYP3A4 (0.59) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542738 0.73 CYP3A4 (0.59) CYP3A4TRPV1EPHX2NR1H4
SCHEMBL1542422 0.72 CYP3A4 (0.59) CYP3A4TRPV1EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 US claimed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 US claimed
US-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 US disclosed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 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-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, IFNAR1, RRM2B CYP3A4 778/4885NR3C1 1143/4885TRPV1 4771/4885

“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.