SCHEMBL21822705

SCHEMBL21822705

COc1ccccc1C(=O)CC(=O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.57
▸ IDO1 P14902 1/20 0.51
▸ TDO2 P48775 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ CTNNB1 P35222 1/20 0.48
▸ WNT3A P56704 1/20 0.48
▸ CTSD P07339 1/20 0.47
▸ CTSS P25774 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ATM Q13315 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ KCNK3 O14649 2/20 0.44
▸ KCNK9 Q9NPC2 2/20 0.44
▸ KAT6A Q92794 2/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ PKM P14618 1/20 0.43

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
SCHEMBL21128714 0.81 NPC1 (0.83) NPC1IDO1TDO2CTNNB1WNT3A
SCHEMBL29987209 0.81 NPC1 (0.83) NPC1IDO1TDO2CTNNB1WNT3A
SCHEMBL9072150 0.80 NPC1 (0.62) NPC1IDO1TDO2CTNNB1WNT3A
SCHEMBL15861786 0.79 NPC1 (0.65) NPC1IDO1TDO2CTNNB1WNT3A
SCHEMBL6603074 0.77 CTSS (0.53) CTNNB1WNT3ACTSSHDAC8KCNK3
SCHEMBL4511619 0.77 AR (0.44) IDO1TDO2MAOBSMN1; SMN2ATM
SCHEMBL4873112 0.76 CTSS (0.55) CTNNB1WNT3ACTSSHDAC8KAT6A
SCHEMBL5239843 0.76 CTSS (0.51) CTSSATMHDAC8KAT6AGAA
SCHEMBL8523809 0.75 KAT6A (0.57) NPC1IDO1TDO2CTSDSMN1; SMN2
SCHEMBL27570696 0.75 NPC1 (0.51) NPC1IDO1TDO2CTSDSMN1; SMN2

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-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 — — US disclosed
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 — — US disclosed
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 — — US disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 — — US disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 — — US disclosed
EP-3860984-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-11 — — EP disclosed
CN-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 — — CN disclosed
WO-2020070088-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-09 — — 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 (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-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease CCNE2, CCNE1, CCNT1 NPC1 178/4885IDO1 1626/4885TDO2 3505/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 NPC1 178/4885IDO1 1626/4885TDO2 3505/4885

“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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