SCHEMBL625757

SCHEMBL625757

CC(C)(C)OC(=O)N[C@@H](CN(c1ccccc1)c1ncccn1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.43
CTSK P43235 7/20 0.42
CTSS P25774 6/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL625758 1.00 REN (0.43) RENCTSKCTSSCTSLCTSB
SCHEMBL625898 0.91 PPARA (0.48) CTSKCTSSCTSLCTSBPPARA
SCHEMBL625897 0.91 PPARA (0.48) CTSKCTSSCTSLCTSBPPARA
SCHEMBL626559 0.81 CTSK (0.40) CTSKACE
SCHEMBL625890 0.81 PPARA (0.47) CTSKCTSSCTSLCTSBPPARA
SCHEMBL625889 0.81 PPARA (0.47) CTSKCTSSCTSLCTSBPPARA
SCHEMBL3935572 0.80 PPARA (0.54) CTSKCTSSCTSLCTSBPPARA
SCHEMBL3935560 0.80 PPARA (0.54) CTSKCTSSCTSLCTSBPPARA
SCHEMBL12112869 0.78 KLK5 (0.50) CTSKCTSSCTSLCTSBPPARA
SCHEMBL1305832 0.78 KLK5 (0.50) CTSKCTSSCTSLCTSBPPARA

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 REN 50/4885CTSK 3414/4885CTSS 1088/4885

“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.