SCHEMBL21623376

SCHEMBL21623376

Nc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.65
▸ CA1 P00915 7/20 0.49
▸ CA2 P00918 7/20 0.49
▸ STAT3 P40763 2/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ TP53 P04637 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL21623042 0.90 CYP1A2 (0.59) CYP1A2CA1CA2STAT3CA9
SCHEMBL21623372 0.89 CYP1A2 (0.57) CYP1A2CA1CA2STAT3CA9
SCHEMBL21623152 0.88 LMNA (0.55) CYP1A2CA1CA2MAPTNPC1
SCHEMBL21623120 0.86 CYP1A2 (0.55) CYP1A2TP53MAPTHDAC1HDAC6
SCHEMBL19199071 0.85 CA1 (0.68) CYP1A2CA1CA2STAT3TP53
SCHEMBL21623214 0.84 CYP1A2 (0.53) CYP1A2CA1CA2STAT3CA9
SCHEMBL21623313 0.83 CYP1A2 (0.55) CYP1A2CA1CA2STAT3CA9
SCHEMBL21623209 0.82 CYP1A2 (0.54) CYP1A2CA1CA2STAT3CA9
SCHEMBL21623225 0.82 CA2 (0.57) CA1CA2STAT3TP53MAPT
SCHEMBL21623079 0.82 NPC1 (0.49) CYP1A2CA1CA2CA9MAPT

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 11 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-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
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-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 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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