SCHEMBL5498560

SCHEMBL5498560

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 15/20 0.65
NMUR1 Q9HB89 14/20 0.65
EPHA2 P29317 2/20 0.57
NTSR2 O95665 1/20 0.56
NTSR1 P30989 1/20 0.56

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
SCHEMBL31588354 0.88 OPRM1 (0.61) NMUR2NMUR1EPHA2NTSR2NTSR1
SCHEMBL31307220 0.88 NMUR2 (0.60) NMUR2NMUR1
SCHEMBL8808129 0.88 NMUR2 (0.70) NMUR2NMUR1
SCHEMBL8808113 0.88 NMUR2 (0.70) NMUR2NMUR1
SCHEMBL30564574 0.88 NMUR2 (0.61) NMUR2NMUR1EPHA2NTSR2NTSR1
SCHEMBL30680640 0.87 NMUR2 (0.61) NMUR2NMUR1EPHA2NTSR2NTSR1
SCHEMBL30168766 0.86 NMUR2 (0.68) NMUR2NMUR1EPHA2
SCHEMBL30634740 0.86 NMUR2 (0.65) NMUR2NMUR1EPHA2NTSR2NTSR1
SCHEMBL30956237 0.85 NPY1R (0.70) NMUR2NMUR1NTSR2NTSR1
SCHEMBL9807235 0.85 EPHA2 (0.64) NMUR2NMUR1EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications GLAZIER ARNOLD 2007-07-26 US disclosed
EP-1409017-A4 EXPONENTIAL PATTERN RECOGNITION BASED CELLULAR TARGETING, COMPOSITIONS, METHODS AND ANTICANCER APPLICATIONS DRUG INNOVATION & DESIGN INC (US) 2006-05-24 EP disclosed
EP-1409017-A2 EXPONENTIAL PATTERN RECOGNITION BASED CELLULAR TARGETING, COMPOSITIONS, METHODS AND ANTICANCER APPLICATIONS Drug Innovation & Design, Inc. (US) 2004-04-21 EP disclosed
US-20030031677-A1 Exponential pattern recognition based cellular targeting, compositions, methods and anticancer applications DRUG INNOVATION & DESIGN, INCORPORATED 2003-02-13 US disclosed
WO-2003000201-A2 EXPONENTIAL PATTERN RECOGNITION BASED CELLULAR TARGETING, COMPOSITIONS, METHODS AND ANTICANCER APPLICATIONS DRUG INNOVATION & DESIGN, INCORPORATED (US) 2003-01-03 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 (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-20030031677-A1 Exponential pattern recognition based cellular targeting, compositions, methods and anticancer applications EPHA2, EEA1, TPX2 NMUR2 2114/4885NMUR1 2812/4885EPHA2 1/4885
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications EPHA2, EEA1, HAVCR2 NMUR2 2009/4885NMUR1 2689/4885EPHA2 1/4885

“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.