SCHEMBL20101965

SCHEMBL20101965

Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 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
SCHEMBL20101954 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1GAAMAPTKMT2A
SCHEMBL22997083 0.83 LMNA (0.46) SMN1; SMN2NPC1TDP1GAAKMT2A
SCHEMBL21048180 0.82 HPGD (0.51) SMN1; SMN2NPC1GAARAB9AKMT2A
SCHEMBL22049534 0.81 HTT (0.50) SMN1; SMN2NPC1GAAKMT2AALDH1A1
SCHEMBL21286879 0.80 HTT (0.49) SMN1; SMN2NPC1GAAKMT2AALDH1A1
SCHEMBL20101966 0.79 SMN1; SMN2 (0.38) SMN1; SMN2NPC1TDP1GAAMAPT
SCHEMBL20108916 0.77 SMN1; SMN2 (0.37) SMN1; SMN2NPC1TDP1GAAMAPT
SCHEMBL10188491 0.76 SMN1; SMN2 (0.48) SMN1; SMN2NPC1GAAKMT2AALDH1A1
SCHEMBL15143207 0.76 SMN1; SMN2 (0.42) SMN1; SMN2NPC1GAAKMT2AALDH1A1
SCHEMBL20924657 0.75 SMN1; SMN2 (0.47) SMN1; SMN2NPC1GAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3391888-B1 MEDICINE FOR TREATING INFLUENZA CHARACTERIZED BY COMPRISING COMBINATION OF CAP-DEPENDENT ENDONUCLEASE INHIBITOR WITH ANTI-INFLUENZA DRUG SHIONOGI & CO (JP) 2023-09-27 EP disclosed
US-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2023-09-14 US disclosed
US-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2023-09-14 US disclosed
EP-4219508-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVE AND PRODRUG THEREOF Shionogi & Co., Ltd (JP) 2023-08-02 EP disclosed
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2023-02-09 US disclosed
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug SHIONOGI & CO., LTD. (JP) 2021-06-22 US disclosed
US-20200361958-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF SHIONOGI & CO., LTD. (JP) 2020-11-19 US disclosed
US-20200283455-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2020-09-10 US disclosed
US-10759814-B2 Pharmaceutical compositions containing substituted polycyclic pyridone derivatives and prodrug thereof SHIONOGI & CO., LTD. (JP) 2020-09-01 US disclosed
US-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG SHIONOGI & CO., LTD. (JP) 2020-08-20 US disclosed
EP-3693373-A1 METHOD FOR STEREOSELECTIVELY PRODUCING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2020-08-12 EP disclosed
US-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2020-08-06 US disclosed
US-10633397-B2 Substituted polycyclic pyridone derivatives and prodrugs thereof SHIONOGI & CO., LTD. (JP) 2020-04-28 US disclosed
US-10392406-B2 Substituted polycyclic pyridone derivatives and prodrugs thereof SHIONOGI & CO., LTD. (JP) 2019-08-27 US disclosed
US-20190169206-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF SHIONOGI & CO., LTD. (JP) 2019-06-06 US disclosed
US-10294241-B2 2019-05-21 US disclosed
US-20190112315-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2019-04-18 US disclosed
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2018-05-03 US disclosed
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2018-05-03 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 (14 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-20200361958-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF TYMP, PNP, CYP3A4 SMN1; SMN2 1950/4885NPC1 1738/4885TDP1 937/4885
US-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, ENDOD1 SMN1; SMN2 2630/4885NPC1 4444/4885TDP1 184/4885
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, RNASEL SMN1; SMN2 2614/4885NPC1 4459/4885TDP1 189/4885
US-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885NPC1 3542/4885TDP1 2236/4885
US-20190169206-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF TYMP, PNP, CYP3A4 SMN1; SMN2 1950/4885NPC1 1738/4885TDP1 937/4885
US-10294241-B2 C3AR1, HAVCR2, NR4A1 SMN1; SMN2 3158/4885NPC1 2041/4885TDP1 3180/4885
US-10633397-B2 Substituted polycyclic pyridone derivatives and prodrugs thereof C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885NPC1 3542/4885TDP1 2236/4885
US-10392406-B2 Substituted polycyclic pyridone derivatives and prodrugs thereof C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885NPC1 3542/4885TDP1 2236/4885
US-20190112315-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885NPC1 3542/4885TDP1 2236/4885
US-20200283455-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885NPC1 3542/4885TDP1 2236/4885
US-10759814-B2 Pharmaceutical compositions containing substituted polycyclic pyridone derivatives and prodrug thereof TYMP, PNP, CYP3A4 SMN1; SMN2 1950/4885NPC1 1738/4885TDP1 937/4885
US-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG RNASEH1, RNASEL, RNPEP SMN1; SMN2 4589/4885NPC1 2543/4885TDP1 492/4885
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885NPC1 3542/4885TDP1 2236/4885
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug RNASEH1, RNPEP, RNASEL SMN1; SMN2 4672/4885NPC1 2423/4885TDP1 613/4885

“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.