SCHEMBL5202686

SCHEMBL5202686

CC(C)(C)OC(=O)N[C@@H]1[CH]CCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
BTK Q06187 1/20 0.45
GAA P10253 2/20 0.44
EPHX1 P07099 2/20 0.43
CTSK P43235 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL6663019 1.00 NFKB1 (0.50) NFKB1NFKB2RELABTKGAA
SCHEMBL1515277 1.00 NFKB1 (0.50) NFKB1NFKB2RELABTKGAA
SCHEMBL1927425 0.95 NFKB1 (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL1928948 0.90 NFKB1 (0.56) NFKB1NFKB2RELABTKGAA
SCHEMBL18024827 0.83 NFKB1 (0.50) NFKB1NFKB2RELABTKGAA
SCHEMBL4680638 0.82 MAPT (0.40) EPHX1KMT2AEPHX2
SCHEMBL19258039 0.79 NFKB1 (0.53) NFKB1NFKB2RELABTKGAA
SCHEMBL27476940 0.78 NFKB1 (0.59) NFKB1NFKB2RELABTKGAA
SCHEMBL18024837 0.78 NFKB1 (0.51) NFKB1NFKB2RELABTKGAA
SCHEMBL27635798 0.78 NFKB1 (0.48) NFKB1NFKB2RELABTKGAA

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
CN-113166101-A Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders 诺华股份有限公司 2021-07-23 CN disclosed
CN-104395297-B Sulfonamide derivatives and pharmaceutical use thereof AJINOMOTO CO.,INC. (JP) 2016-05-04 CN disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 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-20070287695-A1 Novel Compounds OPRM1, OPRL1, OPRK1 NFKB1 1854/4885NFKB2 1362/4885RELA 1729/4885

“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.