SCHEMBL305672

SCHEMBL305672

CC(C)COC(=O)OCI

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS1 P23219 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX4 Q99571 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL25435787 0.87 TSHR (0.54) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL37351 0.87 TSHR (0.54) TSHRTDP1MEN1LMNACYP3A4
Ammonia Solution, Strong SCHEMBL9998248 0.85 TSHR (0.52) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL13133074 0.80 TSHR (0.48) TSHRTDP1MEN1LMNACYP3A4
Ethylene Glycol SCHEMBL14991179 0.80 TSHR (0.48) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL30690962 0.79 ALDH1A1 (0.40) TSHRTDP1LMNACYP3A4ALDH1A1
SCHEMBL18924829 0.79 MAPT (0.46) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL3115072 0.79
SCHEMBL8275261 0.78 TSHR (0.46) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL17194018 0.78 TSHR (0.52) TSHRTDP1MEN1LMNACYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164506-B Dinucleotide compounds and prodrugs thereof 正大天晴药业集团股份有限公司 2023-12-08 CN disclosed
CN-113166190-B Oligonucleotides and prodrugs 正大天晴药业集团股份有限公司 2023-05-23 CN disclosed
CN-113164506-A Dinucleotide compounds and prodrugs thereof 正大天晴药业集团股份有限公司 2021-07-23 CN disclosed
CN-113166190-A Oligonucleotides and prodrugs 正大天晴药业集团股份有限公司 2021-07-23 CN disclosed
WO-2020114495-A1 DINUCLEOTIDE COMPOUND AND PRODRUG THEREOF 正大天晴药业集团股份有限公司 2020-06-11 WO disclosed
WO-2016145103-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2016-09-15 WO disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-20160060287-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS, INC. 2016-03-03 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20140323554-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-8076303-B2 Nucleotide and oligonucleotide prodrugs SPRING BANK PHARMACEUTICALS, INC. (US) 2011-12-13 US disclosed
US-8076303-B2 Nucleotide and oligonucleotide prodrugs SPRING BANK PHARMACEUTICALS, INC. (US) 2011-12-13 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070149462-A1 Nucleotide and oligonucleotide prodrugs SPRING BANK PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149462-A1 Nucleotide and oligonucleotide prodrugs SPRING BANK PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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 (7 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA TSHR 4198/4885TDP1 2860/4885MEN1 332/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT TSHR 1626/4885TDP1 2900/4885MEN1 3301/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM TSHR 1341/4885TDP1 3001/4885MEN1 2685/4885
US-20070149462-A1 Nucleotide and oligonucleotide prodrugs TYMP, PNP, DUT TSHR 4194/4885TDP1 593/4885MEN1 3192/4885
US-20160060287-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS TYMP, PNP, DUT TSHR 4194/4885TDP1 593/4885MEN1 3192/4885
US-20140323554-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS TYMP, PNP, DUT TSHR 4194/4885TDP1 593/4885MEN1 3192/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA TSHR 4147/4885TDP1 3098/4885MEN1 339/4885

“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.