SCHEMBL31209428

SCHEMBL31209428

[2H]C([2H])([2H])C(N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)C([2H])([2H])[2H]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
EPHX1 P07099 1/20 0.36
NR1H2 P55055 1/20 0.36
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RORC P51449 2/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.32
KDM5A P29375 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL31209707 0.91 EPHX1 (0.39) EPHX2EPHX1NR1H2HPGDUSP2
SCHEMBL31209512 0.91 EPHX1 (0.39) EPHX2EPHX1NR1H2HPGDUSP2
SCHEMBL17107692 0.80 EPHX1 (0.39) EPHX2EPHX1NR1H2HPGDUSP2
SCHEMBL31209040 0.79 USP2 (0.40) EPHX2EPHX1NR1H2HPGDUSP2
SCHEMBL3178498 0.78 EPHX1 (0.41) EPHX2EPHX1NR1H2HPGDUSP2
SCHEMBL3186800 0.77 EPHX1 (0.43) EPHX2EPHX1NR1H2HPGDUSP2
SCHEMBL3190015 0.77 EPHX1 (0.40) EPHX2EPHX1NR1H2HPGDMAPT
SCHEMBL31287199 0.76 EPHX1 (0.34) EPHX2EPHX1NR1H2USP2SMN1; SMN2
SCHEMBL17499918 0.74 NR1H2 (0.43) EPHX2EPHX1NR1H2HPGDUSP2
SCHEMBL30525664 0.73 NR1H2 (0.36) EPHX2EPHX1NR1H2USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 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 (1 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS EPHX2 3323/4885EPHX1 2715/4885NR1H2 1327/4885

“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.