SCHEMBL3328892

SCHEMBL3328892

CCOC(=O)/C(=C\N(C)C)C(=O)CCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
NPSR1 Q6W5P4 4/20 0.41
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
MAPT P10636 6/20 0.34
LMNA P02545 4/20 0.34
PLIN1 O60240 1/20 0.34
POLB P06746 1/20 0.34
PLIN5 Q00G26 1/20 0.34
ABHD5 Q8WTS1 1/20 0.34
FAAH O00519 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3328894 1.00 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL24073865 0.91 CYP2C9 (0.41) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL2819752 0.85 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL2819750 0.85 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL17786859 0.85 MAPT (0.33) CYP2C9KMT2AMEN1MAPTGAA
SCHEMBL17786858 0.85 MAPT (0.33) CYP2C9KMT2AMEN1MAPTGAA
SCHEMBL29267513 0.83 CYP2C9 (0.47) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL4737777 0.82 CYP2C9 (0.46) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL5902803 0.81 CYP2C9 (0.51) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL4099809 0.81 CYP2C9 (0.51) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 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-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 CYP2C9 964/4885NPSR1 564/4885GLO1 3727/4885

“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.