SCHEMBL21623262

SCHEMBL21623262

Nc1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.53
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ BRAF P15056 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ KCNQ3 O43525 2/20 0.36
▸ KCNQ2 O43526 2/20 0.36
▸ KCNQ5 Q9NR82 1/20 0.36

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
SCHEMBL21623136 0.86 CYP1A2 (0.49) CYP1A2CA1CA2CA9STAT3
SCHEMBL21626508 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623545 0.79 TP53 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623544 0.79 TP53 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21626509 0.79 TP53 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623376 0.79 CYP1A2 (0.65) CYP1A2CA1CA2CA9CYP3A4
SCHEMBL21623372 0.79 CYP1A2 (0.57) CYP1A2CA1CA2CA9STAT3
SCHEMBL21623266 0.77 CYP1A2 (0.62) CYP1A2CA1CA2CA9CYP3A4
SCHEMBL21623248 0.76 CYP1A2 (0.65) CYP1A2CA1CA2CA9CYP3A4
SCHEMBL19199071 0.75 CA1 (0.68) CYP1A2CA1CA2STAT3

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 12 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 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-2020016427-A1 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-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
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
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 CYP1A2 1300/4885CA1 3251/4885CA2 3007/4885

“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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