SCHEMBL21623348

SCHEMBL21623348

Nc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1S(N)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.51
▸ KCNQ2 O43526 2/20 0.51
▸ KCNE1 P15382 2/20 0.51
▸ KCNQ1 P51787 2/20 0.51
▸ MAPT P10636 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ GRM4 Q14833 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ AR P10275 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ STAT3 P40763 1/20 0.44

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
SCHEMBL21623152 0.87 LMNA (0.55) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL21623209 0.83 CYP1A2 (0.54) KCNQ3KCNQ2MAPTNPSR1MEN1
SCHEMBL21623225 0.83 CA2 (0.57) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL21623564 0.83 CYP1A2 (0.67) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL21623130 0.82 CYP1A2 (0.48) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL21623053 0.82 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL21623212 0.81 GRM4 (0.49) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL21623376 0.80 CYP1A2 (0.65) MAPTNPC1RAB9ACA1CA2
SCHEMBL21623042 0.78 CYP1A2 (0.59) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL3299352 0.77 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1MAPT

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 16 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
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-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
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

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 KCNQ3 4616/4885KCNQ2 4490/4885KCNE1 4708/4885

“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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