SCHEMBL3407668

SCHEMBL3407668

COc1c(-c2cc3ccc(NS(C)(=O)=O)cc3c(=O)o2)cc(-c2c[nH]c(=O)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MET P08581 3/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
GSK3B P49841 2/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
CDK2 P24941 1/20 0.32
TP53 P04637 1/20 0.31
BRD4 O60885 1/20 0.31
FYN P06241 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVR1 Q04771 1/20 0.30
SPR P35270 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
SCHEMBL3403471 0.89 CYP3A4 (0.44) CYP3A4CRBNMETJAK2JAK1
SCHEMBL859842 0.89 CYP3A4 (0.45) CYP3A4CRBNMETJAK2JAK1
SCHEMBL13030219 0.88 ALDH1A1 (0.35) CYP3A4CRBNALDH1A1LMNAMET
SCHEMBL3406008 0.87 CYP3A4 (0.59) CYP3A4CRBNMETJAK2JAK1
SCHEMBL861445 0.85 CYP3A4 (0.44) CYP3A4CRBNMETJAK2JAK1
SCHEMBL861440 0.85 CYP3A4 (0.43) CYP3A4CRBNMETJAK2JAK1
SCHEMBL896302 0.84 CRBN (0.62) CYP3A4CRBNALDH1A1LMNAMET
SCHEMBL859888 0.83 CYP3A4 (0.43) CYP3A4CRBNMETJAK2JAK1
SCHEMBL13030236 0.82 CRBN (0.41) CYP3A4CRBNMETJAK2JAK1
SCHEMBL2618845 0.82 CRBN (0.44) CYP3A4CRBNMETJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 US disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 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-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B CYP3A4 302/4885CRBN 1212/4885ALDH1A1 793/4885

“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.