SCHEMBL17868121

SCHEMBL17868121

COC(=O)CCN(C(=O)OC(C)(C)C)[C@@H](C)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.38
TSHR P16473 3/20 0.35
CYP2D6 P10635 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20593366 1.00 CA14 (0.38) CA14CA12CA2MEN1KMT2A
SCHEMBL20593369 1.00 CA14 (0.38) CA14CA12CA2MEN1KMT2A
SCHEMBL21385385 0.91 MEN1 (0.40) CA14CA12CA2MEN1KMT2A
SCHEMBL17881260 0.91 MEN1 (0.40) CA14CA12CA2MEN1KMT2A
SCHEMBL17877380 0.89 CA14 (0.38) CA14CA12CA2MEN1KMT2A
SCHEMBL23854196 0.80 CA14 (0.38) CA14CA12CA2MEN1KMT2A
SCHEMBL934416 0.80 CA14 (0.38) CA14CA12CA2MEN1KMT2A
SCHEMBL5837182 0.80 CA14 (0.38) CA14CA12CA2MEN1KMT2A
SCHEMBL28485053 0.79 CTSK (0.33) CA14CA12CA1HDAC1HDAC2
SCHEMBL18281954 0.79 CTSS (0.34) CA14CA12CA2MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS INC (US) 2020-06-11 US disclosed
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-10077264-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-09-18 US disclosed
EP-3240787-A2 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Novira Therapeutics Inc. (US) 2017-11-08 EP disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CA14 2350/4885CA12 2545/4885CA2 3717/4885
US-10077264-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS CA14 2350/4885CA12 2545/4885CA2 3717/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CA14 2350/4885CA12 2545/4885CA2 3717/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CA14 2350/4885CA12 2545/4885CA2 3717/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS CA14 2350/4885CA12 2545/4885CA2 3717/4885

“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.