SCHEMBL4167953

SCHEMBL4167953

CC(C)(C)OC(=O)CN[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP26A1 O43174 1/20 0.43
PTPRC P08575 2/20 0.42
ATM Q13315 2/20 0.42
EEF2K O00418 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
RIPK1 Q13546 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
SCHEMBL5155595 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP26A1
SCHEMBL16680856 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP26A1
SCHEMBL6359617 0.87 RIPK1 (0.50) L3MBTL1PTPRCCTSSCTSKRIPK1
SCHEMBL6359621 0.87 RIPK1 (0.50) L3MBTL1PTPRCCTSSCTSKRIPK1
SCHEMBL6936747 0.86 MEN1 (0.41) ALDH1A1SMN1; SMN2PTPRCCTSSCTSK
SCHEMBL24326335 0.84 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1PTPRCCTSS
SCHEMBL17697851 0.84 EEF2K (0.46) ALDH1A1SMN1; SMN2MAPTL3MBTL1EEF2K
SCHEMBL3547381 0.82 TDP1 (0.48) ALDH1A1L3MBTL1PTPRCCTSSCTSK
SCHEMBL19193984 0.81 L3MBTL1 (0.54) L3MBTL1PTPRCCTSSCTSK
SCHEMBL27551142 0.81 L3MBTL1 (0.54) L3MBTL1PTPRCCTSSCTSK

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-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 US disclosed
EP-1501795-B1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
US-20060178369-A1 Cinnamic acid amides INTERMED DISCOVERY GMBH (DE) 2006-08-10 US disclosed
EP-1501795-A1 CINNAMIC ACID AMIDES Bayer Aktiengesellschaft (DE) 2005-02-02 EP disclosed
WO-2003091212-A1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-11-06 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-20060178369-A1 Cinnamic acid amides PIGS, NISCH, PIGO ALDH1A1 262/4885SMN1; SMN2 2623/4885MAPT 2050/4885
US-20090149528-A1 Cinnamic acid amides PIGS, NISCH, PIGO ALDH1A1 262/4885SMN1; SMN2 2623/4885MAPT 2050/4885

“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.