SCHEMBL7876216

SCHEMBL7876216

C[C@@H]1CC(NC(=O)OC(C)(C)C)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
GAA P10253 2/20 0.46
CTSK P43235 2/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 1/20 0.40
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.36
MAPK1 P28482 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
SCHEMBL29488326 0.85 GAA (0.48) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL29810609 0.85 GAA (0.48) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL2262867 0.84 BTK (0.53) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL2262870 0.84 BTK (0.53) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL471058 0.84 BTK (0.53) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL470721 0.84 BTK (0.53) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL19364082 0.84 BTK (0.53) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL16310763 0.83 BTK (0.56) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL12030066 0.83 BTK (0.56) BTKGAACTSKKMT2AL3MBTL1
SCHEMBL15221648 0.83 BTK (0.56) BTKGAACTSKKMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR BTK 914/4885GAA 1529/4885CTSK 2923/4885

“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.