SCHEMBL21577589

SCHEMBL21577589

CC(C)(C)OC(=O)N1CCn2ccc3cc(C(F)(F)F)cc(c32)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.43
LIPG Q9Y5X9 1/20 0.41
STS P08842 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
TACR1 P25103 2/20 0.40
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
HDAC4 P56524 1/20 0.38
P2RY14 Q15391 1/20 0.37
NAMPT P43490 2/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3616837 0.87 ESR2 (0.47) ESR2NR1H2MAPK1MAPTLIPG
SCHEMBL8363017 0.86 ESR2 (0.48) ESR2NR1H2MAPK1MAPTLIPG
SCHEMBL21577587 0.84 ESR2 (0.46) ESR2NR1H2MAPK1MAPTLIPG
SCHEMBL3059811 0.80 MAPK1 (0.51) ESR2NR1H2MAPK1MAPTLIPG
SCHEMBL12021884 0.80 ESR2 (0.46) ESR2NR1H2MAPK1MAPTGPR119
SCHEMBL21577582 0.78 ESR2 (0.43) ESR2NR1H2MAPK1MAPTNAMPT
SCHEMBL21577586 0.74 MAPT (0.41) ESR2NR1H2MAPK1MAPTLIPG
SCHEMBL20356399 0.74 MAPK1 (0.39) ESR2NR1H2MAPK1GPR119NAMPT
SCHEMBL8363589 0.74 MAPK1 (0.49) ESR2NR1H2MAPK1MAPTLIPG
SCHEMBL14101032 0.74 NR1H2 (0.55) ESR2NR1H2MAPK1MAPTLIPG

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 522/4885MAPK1 1383/4885
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 1821/4885MAPK1 3170/4885
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, GLI1, WNT1 ESR2 1582/4885NR1H2 248/4885MAPK1 837/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX ESR2 2125/4885NR1H2 3221/4885MAPK1 2543/4885
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 1821/4885MAPK1 3170/4885

“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.