SCHEMBL20439182

SCHEMBL20439182

COC(=O)C(O)c1cn2c3c(cc(F)cc13)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
NR1H2 P55055 2/20 0.38
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
GSK3B P49841 4/20 0.34
MAPT P10636 2/20 0.34
S1PR2 O95136 1/20 0.34
HPGDS O60760 2/20 0.34
GSK3A P49840 2/20 0.34
CDK5 Q00535 2/20 0.34
PDPK1 O15530 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
LCK P06239 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
CDK4 P11802 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
SCHEMBL20434858 0.81 ESR2 (0.39) ESR2NR1H2JAK2JAK1MAPK1
SCHEMBL3616837 0.73 ESR2 (0.47) ESR2NR1H2MAPK1HDAC1LIPG
SCHEMBL21577586 0.70 MAPT (0.41) ESR2NR1H2JAK2MAPK1HDAC1
SCHEMBL29586561 0.68 ESR2 (0.51) ESR2NR1H2MAPK1MAPTHPGDS
SCHEMBL21326104 0.68 ESR2 (0.51) ESR2NR1H2MAPK1MAPTHPGDS
SCHEMBL20434862 0.67 GSK3B (0.46) GSK3BGSK3ACDK5PDPK1PRKCG
SCHEMBL20570960 0.66 HDAC1 (0.52) ESR2NR1H2MAPK1HDAC1MAPT
SCHEMBL22993465 0.66 ESR2 (0.52) ESR2NR1H2MAPK1MAPTHPGDS
SCHEMBL29391249 0.66 ESR2 (0.52) ESR2NR1H2MAPK1MAPTHPGDS
SCHEMBL22993240 0.66 ESR2 (0.51) ESR2NR1H2MAPK1HDAC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same Frequency Therapeutics, Inc. (US) 2019-08-20 US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 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 (2 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-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 ESR2 2490/4885NR1H2 1962/4885JAK2 2398/4885
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same DCX, MKI67, MCL1 ESR2 2490/4885NR1H2 1962/4885JAK2 2398/4885

“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.