SCHEMBL19863569

SCHEMBL19863569

C[C@@H]1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
KDM1A O60341 2/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GAA P10253 2/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.39
CTSK P43235 2/20 0.39
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL20645435 1.00 BTK (0.45) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL17718433 0.88 BTK (0.50) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL18459571 0.88 BTK (0.50) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL20467867 0.88 BTK (0.50) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL16021094 0.88 BTK (0.50) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL24573830 0.88 BTK (0.50) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL13813883 0.86 BTK (0.46) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL25087754 0.86 BTK (0.43) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL18588895 0.84 BTK (0.44) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL15088413 0.82 BTK (0.51) BTKKDM1ANFKB1NFKB2RELA

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-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 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-20180044344-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 BTK 254/4885KDM1A 1269/4885NFKB1 1032/4885

“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.