SCHEMBL21577641

SCHEMBL21577641

COc1ccc(CNCC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
STS P08842 2/20 0.56
TGFBR1 P36897 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
APLNR P35414 1/20 0.49
BACE1 P56817 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL4732973 0.86 EPHX2 (0.61) EPHX2STSTGFBR1ALDH1A1KDM4E
SCHEMBL30933815 0.86 STS (0.52) EPHX2STSTGFBR1ALDH1A1KDM4E
SCHEMBL14851617 0.85 EPHX2 (0.53) EPHX2STSALDH1A1KDM4EMAPT
SCHEMBL19672567 0.83 EPHX2 (0.51) EPHX2STSALDH1A1KDM4EMAPT
SCHEMBL20863095 0.83 EPHX2 (0.49) EPHX2STSKDM4EPKMMAPT
SCHEMBL29253172 0.83 STS (0.58) EPHX2STSTGFBR1ALDH1A1KDM4E
SCHEMBL31580099 0.82 CD274 (0.57) EPHX2STSALDH1A1KDM4EMAPT
SCHEMBL27415157 0.82 ALDH1A1 (0.54) EPHX2STSALDH1A1MAPTMEN1
SCHEMBL28611807 0.82 ALDH1A1 (0.54) EPHX2STSALDH1A1MAPTMEN1
SCHEMBL30706890 0.80 STS (0.52) EPHX2STSALDH1A1KDM4EMAPT

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 3 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-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 (3 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-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 EPHX2 2483/4885STS 3399/4885TGFBR1 2743/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX EPHX2 1675/4885STS 2724/4885TGFBR1 3798/4885
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 EPHX2 2483/4885STS 3399/4885TGFBR1 2743/4885

“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.