SCHEMBL23945718

SCHEMBL23945718

CCCCNCCCCCN(C)C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.40
EPHX1 P07099 5/20 0.39
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
S1PR2 O95136 5/20 0.39
S1PR4 O95977 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR5 Q9H228 1/20 0.39
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.36
DNM1 Q05193 1/20 0.36

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
SCHEMBL24672596 0.88 ALDH1A1 (0.45) PAOXEPHX1ALDH1A1TSHRS1PR2
SCHEMBL24193686 0.86 DNM1 (0.44) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL20349291 0.86 DNM1 (0.44) EPHX2S1PR2S1PR1S1PR3S1PR5
SCHEMBL13715995 0.82 CA12 (0.40) EPHX2ALDH1A1TSHRBRD4
SCHEMBL22794389 0.81 PAOX (0.47) PAOXEPHX1EPHX2ALDH1A1TSHR
SCHEMBL25467441 0.77 ALDH1A1 (0.48) PAOXEPHX1EPHX2ALDH1A1TSHR
SCHEMBL8356699 0.75 EPHX2 (0.51) PAOXEPHX2ALDH1A1DNM1
SCHEMBL25725928 0.75 BRD4 (0.34) PAOXKDM4EBRD4
SCHEMBL23560304 0.74 TSHR (0.43) PAOXEPHX1EPHX2ALDH1A1TSHR
SCHEMBL9010937 0.73 RIPK1 (0.37) ALDH1A1TSHRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (2 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PAOX 1862/4885EPHX1 1684/4885EPHX2 1890/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PAOX 1862/4885EPHX1 1684/4885EPHX2 1890/4885

“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.