SCHEMBL21577586

SCHEMBL21577586

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
STS P08842 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
ESR2 Q92731 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
NR1H2 P55055 2/20 0.37
GPR119 Q8TDV5 2/20 0.36
NAMPT P43490 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
MAPK1 P28482 1/20 0.35
MET P08581 1/20 0.34
HDAC1 Q13547 1/20 0.34
TACR1 P25103 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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 0.88 ESR2 (0.39) LIPGESR2NR1H2NAMPTJAK2
SCHEMBL21577588 0.81 ESR2 (0.37) MAPTLIPGESR2NR1H2NAMPT
SCHEMBL5768428 0.75 BACE1 (0.40) STSLIPGESR2NR1H2NAMPT
SCHEMBL21577589 0.74 ESR2 (0.45) MAPTSTSLIPGESR2RAF1
SCHEMBL20439182 0.70 ESR2 (0.38) MAPTLIPGESR2NR1H2NAMPT
SCHEMBL21941615 0.69 GSK3B (0.37) ALDH1A1
SCHEMBL3050216 0.69 LIPG (0.51) LIPGESR2NR1H2NAMPTMAPK1
SCHEMBL14101032 0.69 NR1H2 (0.55) MAPTSTSLIPGESR2RAF1
SCHEMBL13650434 0.67 ESR2 (0.48) MAPTSTSLIPGESR2RAF1
SCHEMBL13645895 0.66 ESR2 (0.47) MAPTSTSESR2NR1H2MAPK1

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 MAPT 4359/4885STS 3322/4885LIPG 4722/4885
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 MAPT 4816/4885STS 3399/4885LIPG 3431/4885
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, GLI1, WNT1 MAPT 3128/4885STS 1842/4885LIPG 4215/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX MAPT 4592/4885STS 2724/4885LIPG 3886/4885
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 MAPT 4816/4885STS 3399/4885LIPG 3431/4885

“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.