SCHEMBL4444774

SCHEMBL4444774

CC(C)(C)OC(=O)NC1CN(C(=O)O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
CTSK P43235 2/20 0.40
BTK Q06187 1/20 0.40
CYP2C9 P11712 1/20 0.37
HSD11B1 P28845 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
EPHX1 P07099 1/20 0.35
DRD2 P14416 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
SCHEMBL27686765 0.89 GAA (0.45) GAACA1CA2NFKB1NFKB2
SCHEMBL22980612 0.80 GAA (0.48) GAACA1CA2NFKB1NFKB2
SCHEMBL11906900 0.79 PDE4B (0.49) CTSKKMT2AL3MBTL1
SCHEMBL11978252 0.79 PDE4B (0.49) CTSKKMT2AL3MBTL1
SCHEMBL15872485 0.79 GAA (0.46) GAACA1CA2NFKB1NFKB2
SCHEMBL20357934 0.79 GAA (0.46) GAACA1CA2NFKB1NFKB2
SCHEMBL31401675 0.76 FPR2 (0.45) GAACA1CA2CTSKBTK
SCHEMBL764580 0.76 GAA (0.51) GAACA1CA2NFKB1NFKB2
SCHEMBL24818982 0.76 GAA (0.51) GAACA1CA2NFKB1NFKB2
SCHEMBL15192054 0.76 GAA (0.51) GAACA1CA2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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 (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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GAA 1434/4885CA1 3450/4885CA2 2979/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 GAA 1434/4885CA1 3450/4885CA2 2979/4885

“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.