SCHEMBL1764624

SCHEMBL1764624

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2CO)cc(Br)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 1/20 0.34
EPHX2 P34913 4/20 0.33
PPARG P37231 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL1764621 1.00 CYP3A4 (0.46) CYP3A4CRBNKDM4ELMNAMAPT
SCHEMBL2128836 0.90 CYP3A4 (0.46) CYP3A4CRBNKDM4ELMNAMAPT
SCHEMBL2128834 0.90 CYP3A4 (0.46) CYP3A4CRBNKDM4ELMNAMAPT
SCHEMBL6765973 0.83 CYP3A4 (0.62) CYP3A4CRBNLMNAMAPTSMN1; SMN2
SCHEMBL2129159 0.82 CYP3A4 (0.46) CYP3A4CRBNKDM4EMAPTPTPN1
SCHEMBL2129154 0.82 CYP3A4 (0.46) CYP3A4CRBNKDM4EMAPTPTPN1
SCHEMBL1530863 0.80 CRBN (0.60) CYP3A4CRBNKDM4ELMNAMAPT
SCHEMBL1543246 0.80 CYP3A4 (0.76) CYP3A4CRBNKDM4ELMNAMAPT
SCHEMBL2127947 0.80 CYP3A4 (0.57) CYP3A4CRBNEPHX2PPARGNR1H4
SCHEMBL1530861 0.80 CRBN (0.60) CYP3A4CRBNKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383824-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2013-02-26 US disclosed
EP-2501679-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-09-26 EP disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2445875-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. Hoffmann-La Roche AG (CH) 2012-05-02 EP disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
WO-2011061243-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 WO disclosed
US-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 US disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US disclosed
WO-2010149598-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO 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 (3 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-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HCCS, EIF2AK2, RNASE1 CYP3A4 60/4885CRBN 3075/4885KDM4E 2440/4885
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 CYP3A4 305/4885CRBN 2969/4885KDM4E 2295/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885CRBN 1397/4885KDM4E 1962/4885

“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.