SCHEMBL5495351

SCHEMBL5495351

CSCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.54
▸ APLNR P35414 3/20 0.48
▸ NTSR1 P30989 2/20 0.46
▸ NMUR2 Q9GZQ4 4/20 0.45
▸ NMUR1 Q9HB89 4/20 0.45
▸ RAMP3 O60896 6/20 0.42
▸ CALCR P30988 6/20 0.42
▸ F2 P00734 2/20 0.42
▸ KEAP1 Q14145 1/20 0.42

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
SCHEMBL29430993 0.94 NAA50 (0.56) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL29800885 0.90 NAA50 (0.47) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30853585 0.89 NAA50 (0.48) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30608626 0.89 NAA50 (0.53) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL29800494 0.87 OPRM1 (0.44) APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL30608607 0.87 NAA50 (0.53) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL31670630 0.87 NAA50 (0.51) NAA50APLNRNTSR1
SCHEMBL29569646 0.87 NAA50 (0.52) NAA50APLNRNMUR2NMUR1RAMP3
SCHEMBL31191354 0.86 NAA50 (0.49) NAA50APLNRNTSR1RAMP3CALCR
SCHEMBL30563219 0.86 NAA50 (0.44) NAA50NTSR1F2

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 NAA50 3839/4885APLNR 166/4885NTSR1 1973/4885
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications EPHA2, EEA1, HAVCR2 NAA50 3669/4885APLNR 158/4885NTSR1 2116/4885

“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.

Send feedback