SCHEMBL851646

SCHEMBL851646

CC(C)C[C@H](N)C(=O)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 3/20 0.42
ANPEP P15144 3/20 0.41
RNPEP Q9H4A4 2/20 0.41
DNPEP Q9ULA0 2/20 0.41
SLC7A5 Q01650 1/20 0.40
LTA4H P09960 1/20 0.39
ELANE P08246 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LAP3 P28838 1/20 0.35

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
SCHEMBL27798628 0.83 ATM (0.38) ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8850414 0.82 CYP1A2 (0.39) SLC7A5LTA4HALDH1A1
SCHEMBL5016829 0.81 ALPI (0.51) ANPEPRNPEPDNPEPSLC7A5LTA4H
SCHEMBL9100092 0.81 ALPI (0.51) ANPEPRNPEPDNPEPSLC7A5LTA4H
SCHEMBL27342871 0.80 CYP1A2 (0.40) ANPEPLTA4HALDH1A1
SCHEMBL11212470 0.79 LARS1 (0.48) LARS1ANPEPRNPEPDNPEPSLC7A5
SCHEMBL9391207 0.78 DPP7 (0.43) LTA4H
SCHEMBL6581938 0.74 LARS1 (0.47) LARS1ANPEPRNPEPDNPEPSLC7A5
SCHEMBL8074243 0.74 GPR88 (0.44) LARS1ANPEPRNPEPDNPEPGPR88
SCHEMBL8074241 0.74 GPR88 (0.44) LARS1ANPEPRNPEPDNPEPGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9182401-B2 Use of the IRAP protein for implementing methods of diagnosis and of prognosis UNIVERSITE JOSEPH FOURIER (FR) 2015-11-10 US disclosed
EP-2297205-B1 USE OF THE IRAP PROTEIN FOR IMPLEMENTING METHODS OF DIAGNOSIS AND OF PROGNOSIS UNIV JOSEPH FOURIER (FR) 2013-12-25 EP disclosed
US-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP VRIJE UNIVERSITEIT BRUSSEL (BE) 2012-05-10 US disclosed
EP-2432800-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP Université Joseph Fourier (FR) 2012-03-28 EP disclosed
US-20110201021-A1 USE OF THE IRAP PROTEIN FOR IMPLEMENTING METHODS OF DIAGNOSIS AND OF PROGNOSIS UNIVERSITE JOSEPH FOURIER (FR) 2011-08-18 US disclosed
EP-2297205-A1 USE OF THE IRAP PROTEIN FOR IMPLEMENTING METHODS OF DIAGNOSIS AND OF PROGNOSIS Université Joseph Fourier (FR) 2011-03-23 EP disclosed
WO-2010133806-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 WO disclosed
WO-2010001079-A1 USE OF THE IRAP PROTEIN FOR IMPLEMENTING METHODS OF DIAGNOSIS AND OF PROGNOSIS UNIVERSITE JOSEPH FOURIER (FR) 2010-01-07 WO disclosed
US-20080171370-A1 DETOXIFYING PRE-TREATED LIGNOCELLULOSE-CONTAINING MATERIALS NOVOZYMES NORTH AMERICA, INC. (US) 2008-07-17 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 (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-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP IAPP, ANPEP, ENPEP LARS1 1283/4885ANPEP 2/4885RNPEP 6/4885

“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.