SCHEMBL15076358

SCHEMBL15076358

O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(S(=O)(=O)N2CCC(O)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP2D6 P10635 2/20 0.59
KCNH2 Q12809 2/20 0.59
CYP1A2 P05177 1/20 0.59
MAPT P10636 13/20 0.59
TP53 P04637 5/20 0.59
LMNA P02545 5/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 3/20 0.52
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL21623135 1.00 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903282 0.94 MAPT (0.58) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL17405116 0.94 MAPT (0.58) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903283 0.94 MAPT (0.58) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL15076711 0.94 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903003 0.93 MAPT (0.64) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903210 0.92 MAPT (0.55) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL15076338 0.91 MAPT (0.60) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903201 0.91 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL21625036 0.91 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
WO-2020016434-A1 CYCLIC 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
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 EP disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
US-20150152073-A1 Hepatitis B Antiviral Agents NOVIRA THERAPEUTICS, INC. 2015-06-04 US disclosed
US-20150152073-A1 Hepatitis B Antiviral Agents NOVIRA THERAPEUTICS, INC. 2015-06-04 US disclosed
US-20140178337-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. 2014-06-26 US disclosed
US-20140178337-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. 2014-06-26 US disclosed
US-8629274-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2014-01-14 US disclosed
US-8629274-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2014-01-14 US disclosed
US-20130251673-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-09-26 US disclosed
US-20130251673-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-09-26 US disclosed
WO-2013096744-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-06-27 WO 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 (5 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-20150152073-A1 Hepatitis B Antiviral Agents HAVCR2, EIF2AK2, IRF3 CYP3A4 1962/4885CYP2C9 3466/4885CYP2C19 3839/4885
US-20140178337-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 CYP3A4 1962/4885CYP2C9 3466/4885CYP2C19 3839/4885
US-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 CYP3A4 1962/4885CYP2C9 3466/4885CYP2C19 3839/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 CYP3A4 1962/4885CYP2C9 3466/4885CYP2C19 3839/4885
US-20130251673-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 CYP3A4 1962/4885CYP2C9 3466/4885CYP2C19 3839/4885

“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.