SCHEMBL3935560

SCHEMBL3935560

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.54
PPARG P37231 6/20 0.54
ACE P12821 1/20 0.53
PPARD Q03181 2/20 0.52
IDO1 P14902 1/20 0.50
CTSK P43235 8/20 0.49
CTSS P25774 7/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ATM Q13315 1/20 0.45

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
SCHEMBL3935572 1.00 PPARA (0.54) PPARAPPARGACEPPARDIDO1
SCHEMBL625897 0.90 PPARA (0.48) PPARAPPARGACEPPARDIDO1
SCHEMBL625898 0.90 PPARA (0.48) PPARAPPARGACEPPARDIDO1
SCHEMBL1305832 0.89 KLK5 (0.50) PPARAPPARGACEPPARDCTSK
SCHEMBL12112869 0.89 KLK5 (0.50) PPARAPPARGACEPPARDCTSK
SCHEMBL31407563 0.88 PPARA (0.53) PPARAPPARGACEPPARDIDO1
SCHEMBL625889 0.87 PPARA (0.47) PPARAPPARGACEPPARDIDO1
SCHEMBL625890 0.87 PPARA (0.47) PPARAPPARGACEPPARDIDO1
SCHEMBL1306620 0.84 PPARA (0.43) PPARAPPARGACEPPARDIDO1
SCHEMBL7464162 0.83 PPARA (0.49) PPARAPPARGACEPPARDIDO1

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-20090203918-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-7514578-B2 Method for producing enantiomeric form of 2,3-diaminopropionic acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-07 US disclosed
US-20070238778-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-11 US 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-20090203918-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES DDC, ADM2, MTHFD2 PPARA 1474/4885PPARG 2870/4885ACE 441/4885
US-20070238778-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES DDC, DAO, ADM2 PPARA 1220/4885PPARG 2825/4885ACE 430/4885

“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.