SCHEMBL17868262

SCHEMBL17868262

CC1c2c(-c3cscn3)n[nH]c2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ECE1 P42892 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NR1I2 O75469 4/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ UCHL1 P09936 2/20 0.30
▸ USP30 Q70CQ3 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ CFTR P13569 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
SCHEMBL17868237 0.81 P2RX7 (0.33) ALDH1A1GAASMN1; SMN2PARP1LMNA
SCHEMBL22615289 0.80 MAPK1 (0.43) PARP1MAPT
SCHEMBL17877334 0.80 BRD4 (0.43) PARP1GPR119HPGDSUCHL1USP30
SCHEMBL34469048 0.76 PARP1 (0.37) ALDH1A1PARP1HTTCFTR
SCHEMBL17868616 0.73 PARP1 (0.37) ALDH1A1PARP1LMNAHTTMAPT
SCHEMBL22630723 0.70 KDR (0.34) PARP1KDR
SCHEMBL29475098 0.69 PSEN1 (0.40) PARP1UCHL1
SCHEMBL34469198 0.69 PSEN1 (0.40) PARP1UCHL1
SCHEMBL5543064 0.67 PTGDR2 (0.43) —
SCHEMBL31569370 0.67 GPR119 (0.36) GPR119MAP4K4

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 14 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-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-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-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
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 ALDH1A1 1370/4885GAA 779/4885SMN1; SMN2 4722/4885
US-10077264-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS ALDH1A1 1370/4885GAA 779/4885SMN1; SMN2 4722/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS ALDH1A1 1370/4885GAA 779/4885SMN1; SMN2 4722/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS ALDH1A1 1370/4885GAA 779/4885SMN1; SMN2 4722/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS ALDH1A1 1370/4885GAA 779/4885SMN1; SMN2 4722/4885

“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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