Sugi Predict

Sugi Predict / Compounds / SCHEMBL2364233

SCHEMBL2364233

SCHEMBL2364233

CCOC(=O)[C@H]1CCC(=O)N1Cc1cc(OC)c(C(C)(C)C)cc1-c1ccc[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GYS1 P13807 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL2364234 1.00 ADRA1A (0.37) ADRA1AKDM4EALDH1A1ADRA1DADRA1B
SCHEMBL2364358 0.90 GYS1 (0.41) CYP3A4HTTGAAMEN1KMT2A
SCHEMBL2354400 0.90 GYS1 (0.41) CYP3A4HTTGAAMEN1KMT2A
SCHEMBL11888716 0.84 HCRTR2 (0.36) CYP3A4GYS1HCRTR1HCRTR2
SCHEMBL2361917 0.84 HCRTR2 (0.36) CYP3A4GYS1HCRTR1HCRTR2
SCHEMBL2361921 0.84 HCRTR2 (0.36) CYP3A4GYS1HCRTR1HCRTR2
SCHEMBL2356493 0.80 CA1 (0.47) ADRA1AKDM4EALDH1A1ADRA1DADRA1B
SCHEMBL3310704 0.80 CA1 (0.47) ADRA1AKDM4EALDH1A1ADRA1DADRA1B
SCHEMBL3311912 0.80 GYS1 (0.39) ADRA1AKDM4EALDH1A1ADRA1DADRA1B
SCHEMBL3311920 0.80 GYS1 (0.39) ADRA1AKDM4EALDH1A1ADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 — — US claimed
EP-2350007-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 — — EP claimed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 — — US claimed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 — — WO claimed
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 — — US disclosed
EP-2350007-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 — — EP disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 — — US disclosed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 — — WO 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B ADRA1A 1386/4885KDM4E 2438/4885ALDH1A1 861/4885

“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.