SCHEMBL30457629

SCHEMBL30457629

CC(C)(C)OC(=O)N[C@@](C)(CC12CC(C1)C2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
HSD11B1 P28845 1/20 0.33
BTK Q06187 1/20 0.33
EPHX2 P34913 1/20 0.33
CACNA1H O95180 1/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APLNR P35414 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL2837383 0.73 CTSK (0.45) MEN1KMT2ACTSSCTSKGAA
SCHEMBL1486204 0.73 TDP1 (0.42) MEN1KMT2ACTSSCTSKGAA
SCHEMBL1979479 0.73 CTSK (0.45) MEN1KMT2ACTSSCTSKGAA
SCHEMBL2129742 0.73 TDP1 (0.42) MEN1KMT2ACTSSCTSKGAA
SCHEMBL1979477 0.73 CTSK (0.45) MEN1KMT2ACTSSCTSKGAA
SCHEMBL201901 0.73 TDP1 (0.42) MEN1KMT2ACTSSCTSKGAA
SCHEMBL7279185 0.72 MEN1 (0.39) MEN1KMT2ACTSSCTSKGAA
SCHEMBL20854164 0.72 MEN1 (0.39) MEN1KMT2ACTSSCTSKGAA
SCHEMBL7088793 0.72 MEN1 (0.39) MEN1KMT2ACTSSCTSKGAA
SCHEMBL16394247 0.72 MEN1 (0.42) MEN1KMT2ACTSSCTSKGAA

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-20250059171-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-02-20 US disclosed
EP-4444711-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-10-16 EP disclosed
WO-2023104882-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-06-15 WO 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-20250059171-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, ACE, EIF2AK2 MEN1 3712/4885KMT2A 2878/4885MAPK1 2971/4885

“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.