SCHEMBL20434835

SCHEMBL20434835

CC(C)(C)C(F)(F)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
EPHX1 P07099 1/20 0.30

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
SCHEMBL8518512 0.86 PDK1 (0.36) PDK1PDK2PDK3PDK4
SCHEMBL17427939 0.84 LIPA (0.31)
SCHEMBL3204535 0.81 PDK1 (0.34) PDK1PDK2PDK3PDK4
SCHEMBL5152479 0.79 PDK1 (0.34) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL664429 0.79 PDK1 (0.30) PDK1PDK2PDK3PDK4
SCHEMBL1034374 0.79 PDK1 (0.34) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL17885864 0.79 PDK1 (0.34) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL22371828 0.79 PDK1 (0.34) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL22694798 0.79 PDK1 (0.34) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL21577657 0.78 CYP1A2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053746-A1 IL-17 LIGANDS AND USES THEREOF DICE MOLECULES SV, INC. 2023-02-23 US disclosed
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-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-20200247785-A1 IL-17 Ligands And Uses Thereof DICE MOLECULES SV, INC. 2020-08-06 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
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
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 (10 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-20230053746-A1 IL-17 LIGANDS AND USES THEREOF IL17A, IL2, IL15 PDK1 3029/4885PDK2 3085/4885PDK3 3662/4885
US-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, WNT3A, WNT1 PDK1 4561/4885PDK2 4335/4885PDK3 4112/4885
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 PDK1 561/4885PDK2 523/4885PDK3 799/4885
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 PDK1 420/4885PDK2 344/4885PDK3 765/4885
US-20200247785-A1 IL-17 Ligands And Uses Thereof IL17A, IL2, IL15 PDK1 3029/4885PDK2 3085/4885PDK3 3662/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 PDK1 428/4885PDK2 227/4885PDK3 248/4885
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, GLI1, WNT1 PDK1 3667/4885PDK2 3682/4885PDK3 3487/4885
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same DCX, MKI67, MCL1 PDK1 420/4885PDK2 344/4885PDK3 765/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX PDK1 218/4885PDK2 168/4885PDK3 319/4885
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 PDK1 561/4885PDK2 523/4885PDK3 799/4885

“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.