SCHEMBL21577564

SCHEMBL21577564

CC(C)(C)C(=O)N1CC(F)(F)CC(F)(F)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
DPP4 P27487 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
SCHEMBL10202606 0.91 DPP4 (0.35) RIPK1MEN1KMT2AEPHX2HDAC8
SCHEMBL20434828 0.88
SCHEMBL18702002 0.83 EPHX2 (0.35) RIPK1MEN1KMT2AEPHX2
SCHEMBL15490630 0.80 RORC (0.33) RIPK1MEN1KMT2AEPHX2HDAC8
SCHEMBL13002698 0.79 DPP4 (0.41) RIPK1MEN1KMT2AEPHX2DPP4
SCHEMBL24621674 0.78 MEN1 (0.32) RIPK1MEN1KMT2AEPHX2HDAC8
SCHEMBL21577565 0.77 EPHX2 (0.33) RIPK1MEN1KMT2AEPHX2
SCHEMBL17034777 0.76 RIPK1 (0.38) RIPK1MEN1KMT2AEPHX2HDAC6
SCHEMBL17886961 0.75 MEN1 (0.34) RIPK1MEN1KMT2AEPHX2HDAC8
SCHEMBL1104454 0.74 CYP3A4 (0.40) RIPK1MEN1KMT2AEPHX2HDAC6

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-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 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 (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-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, WNT3A, WNT1 RIPK1 1824/4885MEN1 4799/4885KMT2A 1917/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 RIPK1 2713/4885MEN1 3848/4885KMT2A 2240/4885
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 RIPK1 2083/4885MEN1 3908/4885KMT2A 2662/4885

“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.