SCHEMBL17877346

SCHEMBL17877346

CC(=O)C1Cc2c(O)n[nH]c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.34
▸ HDAC8 Q9BY41 7/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTPN1 P18031 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL17877345 0.90 PARP1 (0.34) PARP1HDAC8MEN1KMT2APTPN1
SCHEMBL17868252 0.88 PTPN1 (0.43) PARP1HDAC8PTPN1NR1H2
SCHEMBL17877350 0.88 PARP1 (0.34) PARP1HDAC8MEN1KMT2APTPN1
SCHEMBL17868159 0.78 PTPN1 (0.43) PARP1HDAC8PTPN1NR1H2
SCHEMBL17877360 0.77 PARP1 (0.35) PARP1MEN1KMT2ANR1H2
SCHEMBL17868203 0.77 PARP1 (0.35) PARP1MEN1KMT2ANR1H2
SCHEMBL17868204 0.77 PARP1 (0.35) PARP1MEN1KMT2ANR1H2
SCHEMBL17877349 0.74 BRD4 (0.44) HDAC8NR1H2
SCHEMBL17877351 0.72 PTPN1 (0.32) PARP1PTPN1NR1H2
SCHEMBL15829069 0.72 CHRM2 (0.39) HDAC8PTPN1NPC1NR1H2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS PARP1 3072/4885HDAC8 1141/4885MEN1 4414/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS PARP1 3072/4885HDAC8 1141/4885MEN1 4414/4885

“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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