SCHEMBL4546718

SCHEMBL4546718

C[C@@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
ATM Q13315 1/20 0.54
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL3720687 1.00 HTT (0.54) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL17708312 1.00 HTT (0.54) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL1669097 0.87 HTT (0.55) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL698803 0.84 USP2 (0.69) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL18294 0.84 USP2 (0.69) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL3982522 0.84 HTT (0.52) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL17299752 0.84 HTT (0.52) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL2085854 0.84 HTT (0.52) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL19851180 0.83 HTT (0.52) HTTATMUSP2SMN1; SMN2MAPT
SCHEMBL28641490 0.83 HTT (0.52) HTTATMUSP2SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HTT 4707/4885ATM 1938/4885USP2 1317/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HTT 4741/4885ATM 1948/4885USP2 1301/4885

“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.