SCHEMBL3403471

SCHEMBL3403471

COc1c(-c2cc3ccc(NS(C)(=O)=O)cc3c(=O)o2)cc(-c2cc(F)c[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
CRBN Q96SW2 1/20 0.42
MET P08581 1/20 0.33
NR3C1 P04150 2/20 0.31
PGR P06401 2/20 0.31
NR3C2 P08235 2/20 0.31
BRD4 O60885 4/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
GSK3B P49841 2/20 0.31
CDK2 P24941 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
TP53 P04637 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
SCHEMBL3407668 0.89 CYP3A4 (0.45) CYP3A4CRBNMETBRD4JAK2
SCHEMBL3406008 0.87 CYP3A4 (0.59) CYP3A4CRBNMETBRD4JAK2
SCHEMBL861445 0.86 CYP3A4 (0.44) CYP3A4CRBNMETJAK2JAK1
SCHEMBL3401591 0.84 CYP3A4 (0.33) CYP3A4MET
SCHEMBL859842 0.84 CYP3A4 (0.45) CYP3A4CRBNMETNR3C1BRD4
SCHEMBL861440 0.83 CYP3A4 (0.43) CYP3A4CRBNMETJAK2JAK1
SCHEMBL859888 0.82 CYP3A4 (0.43) CYP3A4CRBNMETBRD4JAK2
SCHEMBL13030236 0.81 CRBN (0.41) CYP3A4CRBNMETJAK2JAK1
SCHEMBL2618845 0.80 CRBN (0.44) CYP3A4CRBNMETJAK2JAK1
SCHEMBL13030249 0.79 CRBN (0.41) 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 claimed
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 1212/4885MET 2447/4885

“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.