SCHEMBL3373746

SCHEMBL3373746

O=C(O)C(CCc1ccccc1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.52
ACE P12821 2/20 0.48
POLB P06746 2/20 0.47
MLYCD O95822 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MMP8 P22894 2/20 0.43
FOLH1 Q04609 2/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
TGM2 P21980 1/20 0.41
GGT1 P19440 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL14423531 1.00 MME (0.52) MMEACEPOLBMLYCDALDH1A1
SCHEMBL7276979 0.94 MME (0.47) MMEACEPOLBMLYCDALDH1A1
SCHEMBL7377576 0.94 MME (0.47) MMEACEPOLBMLYCDALDH1A1
SCHEMBL21373191 0.92 MME (0.46) MMEACEPOLBMLYCDKMT2A
SCHEMBL30313716 0.92 MME (0.46) MMEACEPOLBMLYCDKMT2A
SCHEMBL901541 0.91 MME (0.45) MMEACEPOLBSMN1; SMN2FOLH1
SCHEMBL901542 0.91 MME (0.45) MMEACEPOLBSMN1; SMN2FOLH1
SCHEMBL15101628 0.91 MME (0.45) MMEACEPOLBSMN1; SMN2FOLH1
SCHEMBL21373190 0.89 MME (0.43) MMEACEPOLBMLYCDALDH1A1
SCHEMBL30313811 0.89 MME (0.43) MMEACEPOLBMLYCDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253299-B2 Process for purifying n2-(1(s)-ethoxycarbonyl-3-phenylpropyl)-n6-thifluoroacetyl-l-lysine KANEKA CORPORATION (JP) 2007-08-07 US claimed
US-20040147773-A1 Process for purifying n2-(1(s)-ethoxycarbonyl -3-phenylpropyl)-n6-thifluoroacetyl-l-lysine KANEKA CORPORATION (JP) 2004-07-29 US claimed
EP-1405845-A1 METHOD FOR PURIFYING N2-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-N6-TRIFLUOROACETYL-L-LYSINE KANEKA CORPORATION (JP) 2004-04-07 EP claimed
EP-1679303-B1 Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative KANEKA CORP (JP) 2010-09-15 EP disclosed
US-7253299-B2 Process for purifying n2-(1(s)-ethoxycarbonyl-3-phenylpropyl)-n6-thifluoroacetyl-l-lysine KANEKA CORPORATION (JP) 2007-08-07 US disclosed
EP-1679303-A1 Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative Kaneka Corporation (JP) 2006-07-12 EP disclosed
EP-0903337-B1 PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES KANEKA CORP (JP) 2006-04-12 EP disclosed
US-20040147773-A1 Process for purifying n2-(1(s)-ethoxycarbonyl -3-phenylpropyl)-n6-thifluoroacetyl-l-lysine KANEKA CORPORATION (JP) 2004-07-29 US disclosed
EP-1405845-A1 METHOD FOR PURIFYING N2-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-N6-TRIFLUOROACETYL-L-LYSINE KANEKA CORPORATION (JP) 2004-04-07 EP disclosed
EP-0903337-A1 PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES KANEKA CORPORATION (JP) 1999-03-24 EP 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-20040147773-A1 Process for purifying n2-(1(s)-ethoxycarbonyl -3-phenylpropyl)-n6-thifluoroacetyl-l-lysine KARS1, L3MBTL1, PKN2 MME 751/4885ACE 2862/4885POLB 2107/4885

“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.