SCHEMBL2128063

SCHEMBL2128063

C/C(=C\c1cc(C(C)(C)C)cc(-c2ccc[nH]c2=O)c1O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
EPHX2 P34913 5/20 0.36
NR1H4 Q96RI1 2/20 0.36
PDPK1 O15530 1/20 0.35
PTGS2 P35354 1/20 0.33
PPARG P37231 1/20 0.33
HPGD P15428 1/20 0.33
NR3C2 P08235 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
BRD4 O60885 1/20 0.32
EP300 Q09472 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2128068 1.00 CYP3A4 (0.47) CYP3A4EPHX2NR1H4PDPK1PTGS2
SCHEMBL2128070 1.00 CYP3A4 (0.47) CYP3A4EPHX2NR1H4PDPK1PTGS2
SCHEMBL2127415 0.85 CYP3A4 (0.62) CYP3A4EPHX2NR1H4PDPK1NR3C2
SCHEMBL1542584 0.85 CYP3A4 (0.62) CYP3A4EPHX2NR1H4PDPK1NR3C2
SCHEMBL2127133 0.80 CYP3A4 (0.48) CYP3A4PDPK1TRPV1BRD4EP300
SCHEMBL2127134 0.80 CYP3A4 (0.48) CYP3A4PDPK1TRPV1BRD4EP300
SCHEMBL2127652 0.79 CYP3A4 (0.74) CYP3A4EPHX2NR1H4PDPK1PTGS2
SCHEMBL2127662 0.79 CYP3A4 (0.74) CYP3A4EPHX2NR1H4PDPK1PTGS2
SCHEMBL2127657 0.79 CYP3A4 (0.74) CYP3A4EPHX2NR1H4PDPK1PTGS2
SCHEMBL1542324 0.77 CYP3A4 (0.62) CYP3A4EPHX2NR1H4TRPV1EP300

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 3 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

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 3098/4885NR1H4 658/4885

“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.