SCHEMBL20101966

SCHEMBL20101966

CC(C)(C)OC(=O)Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)OCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
SYK P43405 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
AKT1 P31749 2/20 0.35
PPARA Q07869 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL20101953 0.89 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL10188411 0.88 HPGD (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
Water SCHEMBL28917805 0.87 HPGD (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL21185002 0.86 HTT (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL22508485 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL23418413 0.82 BRD4 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL25750671 0.82 HTT (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL23223246 0.80 SYK (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL20108916 0.80 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL31084272 0.79 HTT (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD

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 16 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-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
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 (12 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 1950/4885ALDH1A1 1653/4885MEN1 2519/4885
US-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885ALDH1A1 1319/4885MEN1 2563/4885
US-20190169206-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF TYMP, PNP, CYP3A4 SMN1; SMN2 1950/4885ALDH1A1 1653/4885MEN1 2519/4885
US-10294241-B2 C3AR1, HAVCR2, NR4A1 SMN1; SMN2 3158/4885ALDH1A1 2705/4885MEN1 2550/4885
US-10633397-B2 Substituted polycyclic pyridone derivatives and prodrugs thereof C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885ALDH1A1 1319/4885MEN1 2563/4885
US-10392406-B2 Substituted polycyclic pyridone derivatives and prodrugs thereof C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885ALDH1A1 1319/4885MEN1 2563/4885
US-20190112315-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885ALDH1A1 1319/4885MEN1 2563/4885
US-20200283455-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885ALDH1A1 1319/4885MEN1 2563/4885
US-10759814-B2 Pharmaceutical compositions containing substituted polycyclic pyridone derivatives and prodrug thereof TYMP, PNP, CYP3A4 SMN1; SMN2 1950/4885ALDH1A1 1653/4885MEN1 2519/4885
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 4589/4885ALDH1A1 1075/4885MEN1 4433/4885
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885ALDH1A1 1319/4885MEN1 2563/4885
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 4672/4885ALDH1A1 1153/4885MEN1 4474/4885

“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.