SCHEMBL20108916

SCHEMBL20108916

CCCOCCNn1ccc(=O)c(OCc2ccccc2)c1C(=O)OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HTR1A P08908 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
SCHEMBL20101966 0.80 SMN1; SMN2 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL20101965 0.77 SMN1; SMN2 (0.43) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL21627126 0.74 LMNA (0.44) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL22997083 0.72 LMNA (0.46) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL20101953 0.71 SMN1; SMN2 (0.42) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL20101954 0.67 SMN1; SMN2 (0.50) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL10188411 0.67 HPGD (0.44) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL20101972 0.67 GAA (0.52) SMN1; SMN2HPGDNPC1TDP1GAA
SCHEMBL29062597 0.67 HTT (0.58) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
Water SCHEMBL28917805 0.66 HPGD (0.43) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2023-02-09 US disclosed
US-20200361958-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUG THEREOF SHIONOGI & CO., LTD. (JP) 2020-11-19 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-10392406-B2 Substituted polycyclic pyridone derivatives and prodrugs thereof SHIONOGI & CO., LTD. (JP) 2019-08-27 US disclosed
US-10294241-B2 2019-05-21 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 (6 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 1950/4885MEN1 2519/4885ALDH1A1 1653/4885
US-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, ENDOD1 SMN1; SMN2 2630/4885MEN1 3665/4885ALDH1A1 1645/4885
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, RNASEL SMN1; SMN2 2614/4885MEN1 3650/4885ALDH1A1 1711/4885
US-10294241-B2 C3AR1, HAVCR2, NR4A1 SMN1; SMN2 3158/4885MEN1 2550/4885ALDH1A1 2705/4885
US-10392406-B2 Substituted polycyclic pyridone derivatives and prodrugs thereof C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885MEN1 2563/4885ALDH1A1 1319/4885
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SMN1; SMN2 3547/4885MEN1 2563/4885ALDH1A1 1319/4885

“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.