SCHEMBL21577588

SCHEMBL21577588

COC(=O)C(=O)c1cn2c3c(cc(C#C[Si](C)(C)C)cc13)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.37
NR1H2 P55055 2/20 0.34
KIT P10721 2/20 0.33
MAPK1 P28482 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
HDAC1 Q13547 1/20 0.32
UCHL1 P09936 1/20 0.32
MAPT P10636 2/20 0.32
NAMPT P43490 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
LMNA P02545 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
NSD2 O96028 1/20 0.31

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 0.82 ESR2 (0.39) ESR2NR1H2KITMAPK1HDAC1
SCHEMBL21577586 0.81 MAPT (0.41) ESR2NR1H2MAPK1HDAC1MAPT
SCHEMBL21577582 0.77 ESR2 (0.43) ESR2NR1H2MAPK1GABRA1GABRA5
SCHEMBL21577709 0.71 GSK3B (0.63)
SCHEMBL4590083 0.70 NR1H2 (0.62) ESR2NR1H2MAPK1GABRA1GABRA5
SCHEMBL3011371 0.70 ESR2 (0.63) ESR2NR1H2MAPK1GABRA1GABRA5
SCHEMBL23651900 0.68 NR1H2 (0.38) ESR2NR1H2MAPK1LIPG
SCHEMBL3009981 0.68 MAPT (0.48) ESR2NR1H2MAPK1GABRA1GABRA5
SCHEMBL21941615 0.66 GSK3B (0.37)
SCHEMBL3050216 0.66 LIPG (0.51) ESR2NR1H2MAPK1UCHL1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-23 US disclosed
US-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-16 US disclosed
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2019-11-21 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 (5 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-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, WNT3A, WNT1 ESR2 1631/4885NR1H2 522/4885KIT 18/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 ESR2 1973/4885NR1H2 1821/4885KIT 42/4885
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, GLI1, WNT1 ESR2 1582/4885NR1H2 248/4885KIT 21/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX ESR2 2125/4885NR1H2 3221/4885KIT 100/4885
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 ESR2 1973/4885NR1H2 1821/4885KIT 42/4885

“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.