SCHEMBL625889

SCHEMBL625889

CC(C)(C)OC(=O)N[C@@H](CN(c1ccccc1)c1ccccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.47
PPARG P37231 5/20 0.47
IKBKB O14920 3/20 0.47
PPARD Q03181 2/20 0.47
ACE P12821 1/20 0.45
IDO1 P14902 1/20 0.43
CTSS P25774 5/20 0.42
CTSK P43235 4/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
PTPN1 P18031 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
JAK3 P52333 1/20 0.40
BTK Q06187 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
SCHEMBL625890 1.00 PPARA (0.47) PPARAPPARGIKBKBPPARDACE
SCHEMBL625897 0.90 PPARA (0.48) PPARAPPARGIKBKBPPARDACE
SCHEMBL625898 0.90 PPARA (0.48) PPARAPPARGIKBKBPPARDACE
SCHEMBL3935560 0.87 PPARA (0.54) PPARAPPARGPPARDACEIDO1
SCHEMBL3935572 0.87 PPARA (0.54) PPARAPPARGPPARDACEIDO1
SCHEMBL625758 0.81 REN (0.43) PPARAPPARGPPARDACEIDO1
SCHEMBL625757 0.81 REN (0.43) PPARAPPARGPPARDACEIDO1
SCHEMBL2703202 0.79 POLB (0.39) PPARAPPARGIKBKB
SCHEMBL31407563 0.78 PPARA (0.53) PPARAPPARGPPARDACEIDO1
SCHEMBL12112869 0.77 KLK5 (0.50) PPARAPPARGPPARDACECTSS

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-9434696-B2 Process for the preparation of enantiomeric forms of 2,3-diaminopropionic acid derivatives SANOFI (FR) 2016-09-06 US disclosed
US-8877926-B2 Process for the preparation of enantiomeric forms of 2,3-diaminopropionic acid derivatives SANOFI (FR) 2014-11-04 US disclosed
EP-2603491-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI SA (FR) 2014-09-24 EP disclosed
US-20130211085-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2013-08-15 US disclosed
EP-2603491-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2013-06-19 EP disclosed
WO-2012019967-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2012-02-16 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-20130211085-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES C9, DDT, IDUA PPARA 1281/4885PPARG 2695/4885IKBKB 4277/4885

“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.