SCHEMBL21623326

SCHEMBL21623326

C[C@H](NS(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 17/20 0.47
▸ TP53 P04637 14/20 0.47
▸ LMNA P02545 10/20 0.47
▸ HTR2B P41595 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 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
SCHEMBL21623254 1.00 MAPT (0.47) MAPTTP53LMNAHTR2BCYP1A2
SCHEMBL21623257 1.00 MAPT (0.47) MAPTTP53LMNAHTR2BCYP1A2
SCHEMBL21623241 0.90 CYP1A2 (0.48) MAPTTP53LMNAHTR2BCYP1A2
SCHEMBL21623378 0.90 CYP1A2 (0.48) MAPTTP53LMNAHTR2BCYP1A2
SCHEMBL21623238 0.90 CYP1A2 (0.48) MAPTTP53LMNAHTR2BCYP1A2
SCHEMBL21623171 0.82 MAPT (0.53) MAPTTP53LMNACYP1A2MEN1
SCHEMBL21626511 0.81 MAPT (0.49) MAPTTP53LMNAHTR2BMEN1
SCHEMBL21623297 0.81 MAPT (0.46) MAPTTP53LMNAHTR2BMEN1
SCHEMBL21623300 0.81 MAPT (0.46) MAPTTP53LMNAHTR2BMEN1
SCHEMBL21626414 0.79 MAPT (0.53) MAPTTP53LMNAMEN1MAPK1

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-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-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

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 MAPT 3587/4885TP53 979/4885LMNA 2017/4885

“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.

Send feedback