SCHEMBL2110072

SCHEMBL2110072

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2ccncc2=O)cc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
CRBN Q96SW2 1/20 0.44
CYP17A1 P05093 5/20 0.34
GSK3B P49841 1/20 0.34
F10 P00742 1/20 0.33
CYP24A1 Q07973 2/20 0.33
FLT3 P36888 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
TP53 P04637 1/20 0.31
TNFRSF1A P19438 1/20 0.31
ADRB1 P08588 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
SCHEMBL2110073 1.00 CYP3A4 (0.54) CYP3A4CRBNCYP17A1GSK3BF10
SCHEMBL12990815 0.90 CRBN (0.44) CYP3A4CRBNCYP17A1PTGS1PTGS2
SCHEMBL12991328 0.89 CRBN (0.44) CYP3A4CRBNCYP17A1FLT3TP53
SCHEMBL2712730 0.88 CYP3A4 (0.55) CYP3A4CRBNCYP17A1GSK3BCYP24A1
SCHEMBL2618810 0.88 CYP3A4 (0.55) CYP3A4CRBNCYP17A1GSK3BCYP24A1
SCHEMBL2112193 0.87 CRBN (0.42) CYP3A4CRBNCYP17A1F10FLT3
SCHEMBL2111470 0.87 CRBN (0.42) CYP3A4CRBNCYP17A1F10TP53
SCHEMBL2111469 0.87 CRBN (0.42) CYP3A4CRBNCYP17A1F10TP53
SCHEMBL2111467 0.87 CRBN (0.42) CYP3A4CRBNCYP17A1F10FLT3
SCHEMBL2112194 0.87 CRBN (0.42) CYP3A4CRBNCYP17A1F10FLT3

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-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US claimed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US claimed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 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

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-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 CYP3A4 305/4885CRBN 2969/4885CYP17A1 2529/4885

“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.