SCHEMBL21623238

SCHEMBL21623238

C[C@@H](NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1N)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.48
▸ HTR2B P41595 1/20 0.41
▸ FEN1 P39748 9/20 0.41
▸ ALOX5AP P20292 7/20 0.41
▸ MAPT P10636 7/20 0.39
▸ TP53 P04637 6/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL21623378 1.00 CYP1A2 (0.48) CYP1A2HTR2BFEN1ALOX5APMAPT
SCHEMBL21623241 1.00 CYP1A2 (0.48) CYP1A2HTR2BFEN1ALOX5APMAPT
SCHEMBL21623257 0.90 MAPT (0.47) CYP1A2HTR2BMAPTTP53LMNA
SCHEMBL21623254 0.90 MAPT (0.47) CYP1A2HTR2BMAPTTP53LMNA
SCHEMBL21623326 0.90 MAPT (0.47) CYP1A2HTR2BMAPTTP53LMNA
SCHEMBL21623558 0.85 CYP1A2 (0.69) CYP1A2FEN1ALOX5APCYP3A4CYP2D6
SCHEMBL21623566 0.85 CYP1A2 (0.69) CYP1A2FEN1ALOX5APCYP3A4CYP2D6
SCHEMBL21623560 0.85 CYP1A2 (0.69) CYP1A2FEN1ALOX5APCYP3A4CYP2D6
SCHEMBL21623120 0.83 CYP1A2 (0.55) CYP1A2MAPTTP53LMNACYP3A4
SCHEMBL21623574 0.83 CYP1A2 (0.45) CYP1A2HTR2BFEN1ALOX5APMAPT

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 13 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
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-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-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 1300/4885HTR2B 4406/4885FEN1 2674/4885

“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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