SCHEMBL1542453

SCHEMBL1542453

COc1c(CC(CN2CCOCC2)c2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
LYN P07948 1/20 0.35
BRAF P15056 1/20 0.35
EPHA2 P29317 1/20 0.35
EPHA3 P29320 1/20 0.35
AKT1 P31749 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK14 Q16539 4/20 0.34
CRBN Q96SW2 1/20 0.34
PIK3CA P42336 1/20 0.34
SCARB1 Q8WTV0 2/20 0.33
SRC P12931 1/20 0.32
SYK P43405 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
JAK2 O60674 2/20 0.31
JAK3 P52333 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
SCHEMBL1542965 0.94 CYP3A4 (0.65) CYP3A4CRBNBRD4TACR1ADRB2
SCHEMBL1542625 0.88 CYP3A4 (0.59) CYP3A4CRBNBRD4TACR1ADRA1D
SCHEMBL1542258 0.86 CYP3A4 (0.71) CYP3A4CRBNJAK2JAK3BRD4
SCHEMBL1542672 0.86 CYP3A4 (0.71) CYP3A4CRBNJAK2JAK3BRD4
SCHEMBL1542566 0.84 CYP3A4 (0.69) CYP3A4CRBNBRD4
SCHEMBL1542230 0.81 CYP3A4 (0.70) CYP3A4CRBN
SCHEMBL1542301 0.81 CYP3A4 (0.70) CYP3A4CRBNJAK2JAK3BRD4
SCHEMBL1542682 0.80 CYP3A4 (0.69) CYP3A4CRBN
SCHEMBL1542495 0.79 CYP3A4 (0.77) CYP3A4ABL1CRBNBRD4
SCHEMBL1542581 0.77 CYP3A4 (1.00) CYP3A4CRBNBRD4

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
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885ABL1 584/4885EGFR 2347/4885

“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.