SCHEMBL21623329

SCHEMBL21623329

Nc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)N1CCC(O)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.70
▸ CYP2C9 P11712 4/20 0.70
▸ CYP2C19 P33261 4/20 0.70
▸ CYP2D6 P10635 3/20 0.70
▸ KCNH2 Q12809 2/20 0.70
▸ CYP1A2 P05177 2/20 0.70
▸ MAPT P10636 8/20 0.53
▸ TP53 P04637 5/20 0.53
▸ LMNA P02545 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ ENPP2 Q13822 2/20 0.45
▸ LPAR1 Q92633 1/20 0.45

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
SCHEMBL21625036 0.94 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL21623562 0.94 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL15076711 0.90 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL15076488 0.88 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL15076702 0.88 THRB (0.62) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL15277119 0.88 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL18948571 0.88 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL21623537 0.87 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903008 0.87 MAPT (0.66) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL20647730 0.87 MAPT (0.66) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 — — US claimed
EP-3823957-A1 INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-05-26 — — EP claimed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO claimed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP claimed
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 — — US disclosed
CN-112912368-A Inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2021-06-04 — — CN disclosed
EP-3823957-A1 INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-05-26 — — EP disclosed
WO-2020016434-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
WO-2020016434-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
EP-3597653-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
EP-3597653-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP 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-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS HAVCR2, SLC10A1, HDGF CYP3A4 1205/4885CYP2C9 2864/4885CYP2C19 3432/4885

“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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