SCHEMBL1542848

SCHEMBL1542848

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(Cl)c[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.76
CRBN Q96SW2 1/20 0.38
ERBB2 P04626 2/20 0.33
KIF11 P52732 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
ACLY P53396 1/20 0.32
BRD4 O60885 1/20 0.31
EGFR P00533 1/20 0.31
TNFRSF1A P19438 1/20 0.31
PADI4 Q9UM07 1/20 0.31
AHR P35869 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
SCHEMBL2130293 1.00 CYP3A4 (0.76) CYP3A4CRBNERBB2KIF11NR3C1
SCHEMBL1764949 0.94 CYP3A4 (0.68) CYP3A4CRBNKIF11NR3C1PGR
SCHEMBL1542924 0.91 CYP3A4 (0.76) CYP3A4CRBNTRPV1TNFRSF1APADI4
SCHEMBL2127562 0.91 CYP3A4 (0.76) CYP3A4CRBNTRPV1TNFRSF1APADI4
SCHEMBL1542609 0.90 CYP3A4 (0.75) CYP3A4CRBNKIF11NR3C1PGR
SCHEMBL1542606 0.90 CYP3A4 (0.75) CYP3A4CRBNKIF11NR3C1PGR
SCHEMBL1764335 0.88 CYP3A4 (0.60) CYP3A4CRBNERBB2NR3C1PGR
SCHEMBL1764337 0.88 CYP3A4 (0.60) CYP3A4CRBNERBB2NR3C1PGR
SCHEMBL1542579 0.87 CYP3A4 (0.61) CYP3A4CRBN
SCHEMBL2128077 0.86 CYP3A4 (1.00) CYP3A4CRBNERBB2NR3C2TRPV1

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 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

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 528/4885CRBN 1397/4885ERBB2 3359/4885

“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.