SCHEMBL30004300

SCHEMBL30004300

COC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C=C1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.48
NFKB2 Q00653 5/20 0.48
RELA Q04206 5/20 0.48
KDM1A O60341 2/20 0.38
BTK Q06187 1/20 0.38
GAA P10253 1/20 0.37
MAOB P27338 2/20 0.36
EPHX2 P34913 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.34
NAMPT P43490 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL12951314 0.72 NFKB1 (0.51) NFKB1NFKB2RELAKDM1ABTK
SCHEMBL2134159 0.72 NFKB1 (0.51) NFKB1NFKB2RELAKDM1ABTK
SCHEMBL31454795 0.72 NFKB1 (0.51) NFKB1NFKB2RELAKDM1ABTK
SCHEMBL28572940 0.72 NFKB1 (0.51) NFKB1NFKB2RELAKDM1ABTK
SCHEMBL13334908 0.72 NFKB1 (0.51) NFKB1NFKB2RELAKDM1ABTK
SCHEMBL2134157 0.72 NFKB1 (0.51) NFKB1NFKB2RELAKDM1ABTK
SCHEMBL4146153 0.72 NFKB1 (0.51) NFKB1NFKB2RELAKDM1ABTK
SCHEMBL19730161 0.70 CYP3A4 (0.33)
SCHEMBL27476940 0.69 NFKB1 (0.59) NFKB1NFKB2RELAKDM1ABTK
SCHEMBL30449581 0.69 NFKB1 (0.48) NFKB1NFKB2RELAKDM1ABTK

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-12173026-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-24 US disclosed
CN-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed
US-20220363707-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-11-17 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-20220363707-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 NFKB1 1576/4885NFKB2 3805/4885RELA 3427/4885
US-12173026-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 NFKB1 1576/4885NFKB2 3805/4885RELA 3427/4885

“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.