SCHEMBL2492602

SCHEMBL2492602

COC(=O)c1cc(NS(C)(=O)=O)ccc1CCc1cc(-c2c[nH]c(=O)[nH]c2=O)cc(C(C)(C)C)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
CRBN Q96SW2 1/20 0.39
ROCK1 Q13464 2/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37

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
SCHEMBL1542543 0.89 CYP3A4 (0.57) CYP3A4CRBNROCK1CHEK1AURKA
SCHEMBL1542515 0.82 CYP3A4 (0.57) CYP3A4CRBNSPREPHX2
SCHEMBL2129932 0.79 CYP3A4 (0.47) CYP3A4CRBNROCK1CHEK1AURKA
SCHEMBL1530532 0.77 CRBN (0.60) CYP3A4CRBNROCK1CHEK1AURKA
SCHEMBL896302 0.77 CRBN (0.62) CYP3A4CRBNABL1FYNMET
SCHEMBL2907652 0.76 CYP3A4 (0.46) CYP3A4CRBNROCK1CHEK1AURKA
SCHEMBL2509935 0.75 CYP3A4 (0.57) CYP3A4CRBNMETSPRALDH1A1
SCHEMBL2509939 0.75 CYP3A4 (0.57) CYP3A4CRBNMETSPRALDH1A1
SCHEMBL1542988 0.75 CYP3A4 (0.81) CYP3A4CRBNLMNA
SCHEMBL1542399 0.75 CYP3A4 (0.75) CYP3A4CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 CYP3A4 978/4885CRBN 1341/4885ROCK1 783/4885

“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.