SCHEMBL17868130

SCHEMBL17868130

COC(=O)C1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ CYP19A1 P11511 2/20 0.39
▸ USP7 Q93009 1/20 0.39
▸ UCHL1 P09936 2/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37

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
SCHEMBL17877349 0.90 BRD4 (0.44) BRD4CREBBPUSP7UCHL1USP30
SCHEMBL17877332 0.85 BRD4 (0.46) BRD4CREBBPUSP7UCHL1USP30
SCHEMBL17868255 0.82 BRD4 (0.46) BRD4CREBBPUSP7UCHL1USP30
SCHEMBL17868159 0.82 PTPN1 (0.43) PTPN1CYP19A1ALDH1A1HDAC8NR1H2
SCHEMBL5720826 0.78 BRD4 (0.55) BRD4CREBBPUSP7LMNACKS1B
SCHEMBL17868185 0.76 PTPN1 (0.42) PTPN1CYP19A1HDAC8NR1H2NR1H3
SCHEMBL10095067 0.75 BRD4 (0.67) BRD4CREBBPLMNACKS1BSKP1
SCHEMBL17868252 0.75 PTPN1 (0.43) PTPN1CYP19A1HDAC8NR1H2NR1H3
SCHEMBL21490343 0.73 PTPN1 (0.65) PTPN1HDAC8NR1H2NR1H3
SCHEMBL2737917 0.73 PTPN1 (0.65) PTPN1HDAC8NR1H2NR1H3

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 12 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-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-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-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-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
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 PTPN1 2778/4885BRD4 1214/4885CREBBP 134/4885
US-10077264-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS PTPN1 2778/4885BRD4 1214/4885CREBBP 134/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS PTPN1 2778/4885BRD4 1214/4885CREBBP 134/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS PTPN1 2778/4885BRD4 1214/4885CREBBP 134/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS PTPN1 2778/4885BRD4 1214/4885CREBBP 134/4885

“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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