SCHEMBL3589914

SCHEMBL3589914

CCOC(=O)C(=CN(C)C)C(=O)C(C)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
NPSR1 Q6W5P4 4/20 0.42
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
USP2 O75604 1/20 0.34
IDE P14735 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 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
SCHEMBL962610 0.88 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL12081760 0.88 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL962611 0.88 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL1587530 0.86 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL5901707 0.86 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL1587531 0.86 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL13672504 0.83 CYP2C9 (0.46) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL18936345 0.83 CYP2C9 (0.43) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL18936343 0.83 CYP2C9 (0.43) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL13556621 0.82 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 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-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 CYP2C9 331/4885NPSR1 525/4885GLO1 4436/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 CYP2C9 873/4885NPSR1 1009/4885GLO1 4029/4885

“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.