Sugi Predict

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SCHEMBL1764952

SCHEMBL1764952

COC(=O)c1cc(NS(C)(=O)=O)ccc1C=Cc1cc(-c2ccc[nH]c2=O)cc(C(C)(C)C)c1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.76
▸ CRBN Q96SW2 1/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ FYN P06241 2/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ NTRK1 P04629 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
▸ KDR P35968 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
SCHEMBL1542952 1.00 CYP3A4 (0.76) CYP3A4CRBNABL1FYNJAK2
SCHEMBL1764471 0.94 CYP3A4 (0.68) CYP3A4CRBNABL1FYNJAK2
SCHEMBL2127426 0.93 CYP3A4 (0.76) CYP3A4CRBNABL1FYNJAK2
SCHEMBL1542807 0.93 CYP3A4 (0.76) CYP3A4CRBNABL1FYNJAK2
SCHEMBL2127073 0.91 CYP3A4 (0.72) CYP3A4CRBNABL1FYNJAK2
SCHEMBL1542887 0.91 CYP3A4 (0.72) CYP3A4CRBNABL1FYNJAK2
SCHEMBL2128340 0.88 CYP3A4 (0.78) CYP3A4CRBNABL1FYNJAK2
SCHEMBL1542574 0.88 CYP3A4 (0.78) CYP3A4CRBNABL1FYNJAK2
SCHEMBL12675758 0.88 CYP3A4 (0.81) CYP3A4CRBNFYNPDPK1BRD4
SCHEMBL12675757 0.87 CYP3A4 (0.79) CYP3A4CRBNFYNJAK2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 — — EP claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — US claimed
US-8383824-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2013-02-26 — — US disclosed
EP-2501679-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-09-26 — — EP disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 — — EP disclosed
WO-2011061243-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 — — WO disclosed
US-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 — — US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — 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 (2 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-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HCCS, EIF2AK2, RNASE1 CYP3A4 60/4885CRBN 3075/4885ABL1 375/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885CRBN 1397/4885ABL1 584/4885

“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.