SCHEMBL16893294

SCHEMBL16893294

C=CCCN(CC(=O)C=C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL15645124 0.87 CA14 (0.44) CA14HDAC6L3MBTL1ALDH1A1
SCHEMBL18387953 0.87 CA14 (0.33) CA14HDAC6L3MBTL1
SCHEMBL20055158 0.86 CA14 (0.36) CA14HDAC6L3MBTL1
SCHEMBL24447239 0.83 CA14 (0.35) CA14HDAC6L3MBTL1
SCHEMBL15694959 0.82 CA14 (0.38) CA14HDAC6L3MBTL1ALDH1A1
SCHEMBL21425191 0.82 CA14 (0.38) CA14HDAC6L3MBTL1
SCHEMBL14639322 0.81 HDAC6 (0.35) CA14HDAC6L3MBTL1ALDH1A1
SCHEMBL24587256 0.80 CA14 (0.33) CA14HDAC6
SCHEMBL24840513 0.78 CA14 (0.35) CA14HDAC6L3MBTL1ALDH1A1
SCHEMBL25247476 0.78 CA14 (0.41) CA14HDAC6L3MBTL1ALDH1A1

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 37 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-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-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-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-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 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
WO-2015109130-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. (US) 2015-07-23 WO 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
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-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

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 CA14 2898/4885HDAC6 2656/4885L3MBTL1 4465/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 CA14 2898/4885HDAC6 2656/4885L3MBTL1 4465/4885
US-20150225355-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CA14 2898/4885HDAC6 2656/4885L3MBTL1 4465/4885
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CA14 2898/4885HDAC6 2656/4885L3MBTL1 4465/4885
US-20150197533-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CA14 2898/4885HDAC6 2656/4885L3MBTL1 4465/4885
US-20150197493-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 CA14 2898/4885HDAC6 2656/4885L3MBTL1 4465/4885

“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.