SCHEMBL4364407

SCHEMBL4364407

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.62
ALDH1A1 P00352 7/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 7/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTP4A1 Q93096 1/20 0.46
MIF P14174 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
USP2 O75604 2/20 0.44
GAA P10253 2/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL8291138 1.00 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL4364409 1.00 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL13750059 0.86 CYP2C9 (0.45) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL167038 0.83 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL11269373 0.83 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL28634347 0.83 CYP2C9 (0.54) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL2153022 0.81 CYP2C9 (0.43) CYP2C9ALDH1A1TSHRKDM4EPOLB
SCHEMBL4906704 0.81 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL4961560 0.81 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL2755215 0.81 CYP2C9 (0.69) CYP2C9ALDH1A1TSHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 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-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 CYP2C9 4827/4885ALDH1A1 2640/4885TSHR 4673/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 CYP2C9 4827/4885ALDH1A1 2640/4885TSHR 4673/4885

“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.