SCHEMBL22630003

SCHEMBL22630003

COC(=O)C1CCC(NC(=O)OC(C)(C)C)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ NFKB1 P19838 4/20 0.42
▸ NFKB2 Q00653 4/20 0.42
▸ RELA Q04206 4/20 0.42
▸ BTK Q06187 1/20 0.41
▸ BRD4 O60885 1/20 0.36
▸ CTSK P43235 2/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL18216175 1.00 GAA (0.47) GAANFKB1NFKB2RELABTK
SCHEMBL18208928 0.87 BTK (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL18208930 0.87 BTK (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL31500135 0.87 GAA (0.48) GAANFKB1NFKB2RELABTK
SCHEMBL18208932 0.87 BTK (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL31008916 0.80 GAA (0.45) GAANFKB1NFKB2RELABTK
SCHEMBL2771992 0.78 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL3621203 0.78 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL621675 0.76 BTK (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL2243640 0.76 BTK (0.54) GAANFKB1NFKB2RELABTK

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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 — — 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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A GAA 503/4885NFKB1 1814/4885NFKB2 2573/4885

“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.

Send feedback