SCHEMBL5497929

SCHEMBL5497929

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 10/20 0.53
▸ NMBR P28336 2/20 0.52
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ SORT1 Q99523 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ CXCR4 P61073 1/20 0.50
▸ CTSL P07711 2/20 0.50
▸ CTSS P25774 2/20 0.50
▸ CTSK P43235 2/20 0.50
▸ CXCL8 P10145 1/20 0.50
▸ CCKBR P32239 1/20 0.50
▸ CTSH P09668 1/20 0.50

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
SCHEMBL30788691 0.92 NTSR2 (0.55) NTSR2NTSR1SORT1OPRD1CAPN1
SCHEMBL30933157 0.92 CXCR4 (0.54) GRPRNMBRNTSR2NTSR1SORT1
SCHEMBL5497927 0.91 CXCR4 (0.60) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29776260 0.91 DPP3 (0.49) NTSR2NTSR1SORT1CTSLCTSS
SCHEMBL29904119 0.89 MAGI3 (0.52) GRPRNMBRNTSR1CAPN1CTSB
SCHEMBL29800522 0.88 CXCR4 (0.51) GRPRNMBRNTSR2NTSR1SORT1
SCHEMBL30933128 0.87 CXCR4 (0.56) NTSR2NTSR1SORT1CXCR4
SCHEMBL21949223 0.87 NTSR2 (0.52) GRPRNMBRNTSR2NTSR1SORT1
SCHEMBL30608599 0.87 GRPR (0.55) GRPRNMBRCAPN1CTSBCXCR4
SCHEMBL22018326 0.86 NTSR2 (0.51) GRPRNMBRNTSR2NTSR1SORT1

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 GRPR 3719/4885NMBR 2044/4885NTSR2 2181/4885
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications EPHA2, EEA1, HAVCR2 GRPR 3708/4885NMBR 1869/4885NTSR2 2285/4885

“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.

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