SCHEMBL22231391

SCHEMBL22231391

O=C(O)COc1cc(-c2cc(=O)c3cccc(Cl)c3o2)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 4/20 0.41
▸ CSNK2B P67870 4/20 0.41
▸ CSNK2A1 P68400 4/20 0.41
▸ AGER Q15109 1/20 0.41
▸ CYP1A2 P05177 4/20 0.40
▸ CYP1A1 P04798 3/20 0.40
▸ CYP1B1 Q16678 3/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ PTGDR2 Q9Y5Y4 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ABCC1 P33527 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ STAT6 P42226 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
SCHEMBL22245055 0.90 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL28610230 0.89 KDM4E (0.46) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22230847 0.85 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CYSLTR1PTGDR2
SCHEMBL22230875 0.83 CSNK2A2 (0.53) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL28623674 0.82 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231502 0.82 TERT (0.50) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231445 0.81 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231472 0.81 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231443 0.81 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL21822401 0.80 PTGDR2 (0.48) CYP1A2CYP1A1CYP1B1PTGDR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911413-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-11-24 — — EP claimed
CN-113301959-A Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-24 — — CN claimed
WO-2020148354-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-07-23 — — WO claimed
EP-3911413-B1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-12-06 — — EP disclosed
US-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-07-07 — — US disclosed
EP-3911413-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-11-24 — — EP disclosed
CN-113301959-A Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-24 — — CN disclosed
WO-2020148354-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-07-23 — — WO disclosed
WO-2020148354-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-07-23 — — 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-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP26B1, CYP7A1 CSNK2A2 1452/4885CSNK2B 1017/4885CSNK2A1 1120/4885

“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.

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