SCHEMBL2128041

SCHEMBL2128041

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2CO)cc(-c2cc(F)c[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
CRBN Q96SW2 1/20 0.37
FABP5 Q01469 8/20 0.34
FABP4 P15090 7/20 0.34
NR3C1 P04150 2/20 0.31
PGR P06401 2/20 0.31
NR3C2 P08235 2/20 0.31
EPHX2 P34913 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
FABP3 P05413 1/20 0.30

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
SCHEMBL1542777 1.00 CYP3A4 (0.57) CYP3A4CRBNFABP5FABP4NR3C1
SCHEMBL1543029 0.91 CYP3A4 (0.57) CYP3A4CRBN
SCHEMBL2128337 0.91 CYP3A4 (0.57) CYP3A4CRBN
SCHEMBL2128396 0.91 CYP3A4 (0.56) CYP3A4CRBNEPHX2
SCHEMBL1542947 0.91 CYP3A4 (0.56) CYP3A4CRBNEPHX2
SCHEMBL1764409 0.89 CYP3A4 (0.61) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL1542974 0.89 CYP3A4 (0.61) CYP3A4CRBNNR3C1PGRNR3C2
SCHEMBL2127304 0.88 CYP3A4 (0.52) CYP3A4CRBN
SCHEMBL1542607 0.88 CYP3A4 (0.52) CYP3A4CRBN
SCHEMBL2128039 0.87 CYP3A4 (0.57) CYP3A4CRBNFABP5FABP4NR3C1

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 6 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
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
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 528/4885CRBN 1397/4885FABP5 4278/4885

“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.