SCHEMBL16903079

SCHEMBL16903079

COC1CC(O)CCN(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ MAPT P10636 13/20 0.51
▸ TP53 P04637 5/20 0.51
▸ LMNA P02545 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 3/20 0.46

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
SCHEMBL16903080 0.93 LMNA (0.59) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903078 0.89 MAPT (0.53) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903066 0.88 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL21623135 0.88 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL15076358 0.88 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903083 0.87 MAPT (0.50) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903201 0.87 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL15076711 0.86 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903210 0.84 MAPT (0.55) CYP3A4CYP2C9CYP2C19CYP2D6KCNH2
SCHEMBL16903089 0.83 MAPT (0.56) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-01-17 — — US disclosed
US-9873671-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-01-23 — — US disclosed
US-9873671-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-01-23 — — US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 — — US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 — — US disclosed
US-9505722-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-11-29 — — US disclosed
US-9505722-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-11-29 — — US disclosed
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-9181288-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-11-10 — — US disclosed
US-9169212-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-10-27 — — US disclosed
US-9169212-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2015-10-27 — — US disclosed
US-20150225355-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-08-13 — — US disclosed
US-20150225355-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-08-13 — — US disclosed
WO-2015109130-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. (US) 2015-07-23 — — WO disclosed
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 — — US disclosed
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 — — US disclosed
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 — — US disclosed
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2015-07-16 — — US 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 (6 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-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CYP3A4 273/4885CYP2C9 979/4885CYP2C19 579/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 CYP3A4 273/4885CYP2C9 979/4885CYP2C19 579/4885
US-20150225355-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CYP3A4 273/4885CYP2C9 979/4885CYP2C19 579/4885
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CYP3A4 273/4885CYP2C9 979/4885CYP2C19 579/4885
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CYP3A4 273/4885CYP2C9 979/4885CYP2C19 579/4885
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CYP3A4 273/4885CYP2C9 979/4885CYP2C19 579/4885

“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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