SCHEMBL20123342

SCHEMBL20123342

COCCOC(=O)OCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
XIAP P98170 1/20 0.33
KMT2A Q03164 1/20 0.33
PLEC Q15149 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL20123371 0.94 TSHR (0.37) TSHRALDH1A1GAARAB9AKDM4E
SCHEMBL302273 0.87 TSHR (0.48) TSHRALDH1A1GAARAB9AKDM4E
Ammonia Solution, Strong SCHEMBL9998254 0.85 TSHR (0.46) TSHRALDH1A1GAARAB9AKDM4E
SCHEMBL3542370 0.80 TSHR (0.43) TSHRALDH1A1GAARAB9ATHRB
SCHEMBL3542471 0.80 TSHR (0.43) TSHRALDH1A1GAARAB9ATHRB
SCHEMBL3542619 0.80 TSHR (0.43) TSHRALDH1A1GAARAB9ATHRB
SCHEMBL3541649 0.80 TSHR (0.43) TSHRALDH1A1GAARAB9ATHRB
SCHEMBL21876976 0.80 TSHR (0.43) TSHRALDH1A1GAARAB9ATHRB
SCHEMBL1469808 0.80 TSHR (0.43) TSHRALDH1A1GAARAB9ATHRB
SCHEMBL3541324 0.80 TSHR (0.43) TSHRALDH1A1GAARAB9ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233573-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO (JP) 2023-07-27 US disclosed
US-20230210860-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A SEVERE INFLUENZA CONDITION SHIONOGI & CO (JP) 2023-07-06 US disclosed
US-20230158038-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A COMPLICATION RISK FACTOR SHIONOGI & CO (JP) 2023-05-25 US disclosed
US-20220008429-A2 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A SEVERE INFLUENZA CONDITION F. HOFFMANN-LA ROCHE AG (CH) 2022-01-13 US disclosed
US-20210228590-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO (JP) 2021-07-29 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-20200297731-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A SEVERE INFLUENZA CONDITION SHIONOGI & CO (JP) 2020-09-24 US disclosed
US-20200289522-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A COMPLICATION RISK FACTOR SHIONOGI & CO., LTD. (JP) 2020-09-17 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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP 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 (9 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-20210228590-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF PNPO, IDO1, PDXK TSHR 2266/4885ALDH1A1 1301/4885GAA 2011/4885
US-20230158038-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A COMPLICATION RISK FACTOR PNPO, PLPBP, AADAT TSHR 1904/4885ALDH1A1 653/4885GAA 1113/4885
US-20230210860-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A SEVERE INFLUENZA CONDITION NEU4, IDO1, CYP3A4 TSHR 967/4885ALDH1A1 337/4885GAA 859/4885
US-20200289522-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A COMPLICATION RISK FACTOR PNPO, PLPBP, AADAT TSHR 1904/4885ALDH1A1 653/4885GAA 1113/4885
US-20230233573-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF PNPO, IDO1, PDXK TSHR 2266/4885ALDH1A1 1301/4885GAA 2011/4885
US-20200297731-A1 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A SEVERE INFLUENZA CONDITION NEU4, IDO1, CYP3A4 TSHR 967/4885ALDH1A1 337/4885GAA 859/4885
US-20200261481-A1 A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG RNASEH1, RNASEL, RNPEP TSHR 994/4885ALDH1A1 1075/4885GAA 1320/4885
US-20220008429-A2 TREATING INFLUENZA USING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF IN A SUBJECT HAVING INFLUENZA AND A SEVERE INFLUENZA CONDITION NEU4, IDO1, CYP3A4 TSHR 967/4885ALDH1A1 337/4885GAA 859/4885
US-11040048-B2 Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug RNASEH1, RNPEP, RNASEL TSHR 915/4885ALDH1A1 1153/4885GAA 1583/4885

“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.