SCHEMBL3504191

SCHEMBL3504191

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.53
NPY1R P25929 7/20 0.53
NPY5R Q15761 6/20 0.53
KISS1R Q969F8 1/20 0.53
FOLH1 Q04609 2/20 0.52
GNPAT O15228 1/20 0.51
CTSL P07711 2/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
NPY2R P49146 3/20 0.49
PSMB5 P28074 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL14050130 0.93 KISS1R (0.56) NPY4RNPY1RNPY5RKISS1RFOLH1
SCHEMBL6930854 0.91 KISS1R (0.52) NPY4RNPY1RNPY5RKISS1RFOLH1
SCHEMBL887778 0.90 FOLH1 (0.45) NPY4RNPY1RNPY5RKISS1RFOLH1
SCHEMBL28205670 0.88 GRIA1 (0.59) NPY4RNPY1RNPY5RKISS1RFOLH1
SCHEMBL30866924 0.87 NPY4R (0.56) NPY4RNPY1RNPY5RKISS1RGNPAT
SCHEMBL10900796 0.87 FOLH1 (0.67) KISS1RFOLH1GNPATL3MBTL1
SCHEMBL31643144 0.87 NPY4R (0.54) NPY4RNPY1RNPY5RGNPATNPY2R
SCHEMBL29462563 0.86 NPY4R (0.52) NPY4RNPY1RNPY5RKISS1RGNPAT
SCHEMBL30866923 0.86 NPY4R (0.62) NPY4RNPY1RNPY5RKISS1RNPY2R
SCHEMBL31420009 0.86 GNPAT (0.56) NPY4RNPY1RNPY5RGNPATNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2819702-A1 NOVEL PRODRUG CONTAINING MOLECULE COMPOSTIONS AND THEIR USES Ambrx, Inc. (US) 2015-01-07 EP disclosed
WO-2013130814-A1 NOVEL PRODRUG CONTAINING MOLECULE COMPOSTIONS AND THEIR USES AMBRX, INC. (US) 2013-09-06 WO disclosed
CN-101795675-A Use has the colonic delivery that the Zn/ pectin beads of Eudragit coating carries out DA VOLTERRA 2010-08-04 CN disclosed
US-20100160209-A1 Composition and Method for Increasing Cell Permeability of a Compound SMITHKLINE BEECHAM CORPORATION (US) 2010-06-24 US disclosed
EP-1771573-A4 BIOSYNTHETIC POLYPEPTIDES UTILIZING NON-NATURALLY ENCODED AMINO ACIDS AMBRX INC (US) 2009-02-18 EP disclosed
US-20080317666-A1 Colonic Delivery of Active Agents FATTAL ELIAS 2008-12-25 US disclosed
US-20080312135-A1 MIXTURES OF DRUG-OLIGOMER CONJUGATES COMPRISING POLYETHYLENE GLYCOL, USES THEREOF, AND METHODS OF MAKING SAME EKWURIBE NNOCHIRI N 2008-12-18 US disclosed
CN-101208099-A Biosynthetic polypeptides utilizing non-naturally encoded amino acids AMBRX INC (US) 2008-06-25 CN disclosed
US-20080124279-A1 Colonic delivery using Zn/pectin beads with a Eudragit coating DA VOLTERRA FACULTE DE MEDECINE BICHAT (FR) 2008-05-29 US disclosed
EP-1771573-A2 BIOSYNTHETIC POLYPEPTIDES UTILIZING NON-NATURALLY ENCODED AMINO ACIDS AMBRX, INC. (US) 2007-04-11 EP disclosed
WO-2006091231-A2 BIOSYNTHETIC POLYPEPTIDES UTILIZING NON-NATURALLY ENCODED AMINO ACIDS AMBRX, INC. (US) 2006-08-31 WO disclosed
US-20060153801-A1 Mixtures of drug-oligomer conjugates comprising polyalkylene glycol, uses thereof, and methods of making same BIOCON LIMITED (IN) 2006-07-13 US disclosed
US-7030082-B2 Pharmaceutical compositions of drug-oligomer conjugates and methods of treating disease therewith NOBEX CORPORATION (US) 2006-04-18 US disclosed
US-20050136032-A1 Mixtures of drug-oligomer conjugates comprising polyalkylene glycol, uses thereof, and methods of making same BIOCON LIMITED (IN) 2005-06-23 US disclosed
US-6858580-B2 Mixtures of drug-oligomer conjugates comprising polyalkylene glycol, uses thereof, and methods of making same NOBEX CORPORATION (US) 2005-02-22 US disclosed
US-20040152769-A1 Modified carbamate-containing prodrugs and methods of synthesizing same BIOCON LIMITED (IN) 2004-08-05 US disclosed
US-6770625-B2 CONTAINING A FATTY ACID TO LOWER THE PRECIPITATION POINT OF BILE ACID SALT, WHICH IN TURN LOWERS THE SOLUBILITY OF THE FATTY ACID NOBEX CORPORATION 2004-08-03 US disclosed
US-20040017387-A1 Pharmaceutical compositions of drug-oligomer conjugates and methods of treating disease therewith BIOCON LIMITED (IN) 2004-01-29 US disclosed
US-20030069170-A1 Pharmaceutical compositions of drug-oligomer conjugates and methods of treating diseases therewith BIOCON LIMITED (IN) 2003-04-10 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 (5 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-20060153801-A1 Mixtures of drug-oligomer conjugates comprising polyalkylene glycol, uses thereof, and methods of making same SI, SLC10A2, PIGO NPY4R 3374/4885NPY1R 3781/4885NPY5R 3019/4885
US-20050136032-A1 Mixtures of drug-oligomer conjugates comprising polyalkylene glycol, uses thereof, and methods of making same SI, SLC10A2, PIGO NPY4R 3374/4885NPY1R 3781/4885NPY5R 3019/4885
US-20030069170-A1 Pharmaceutical compositions of drug-oligomer conjugates and methods of treating diseases therewith SLC10A1, SLC10A2, NR1H4 NPY4R 2544/4885NPY1R 3265/4885NPY5R 1646/4885
US-20040152769-A1 Modified carbamate-containing prodrugs and methods of synthesizing same DCTD, TST, CBR1 NPY4R 896/4885NPY1R 462/4885NPY5R 765/4885
US-20080312135-A1 MIXTURES OF DRUG-OLIGOMER CONJUGATES COMPRISING POLYETHYLENE GLYCOL, USES THEREOF, AND METHODS OF MAKING SAME SI, SLC10A2, FABP2 NPY4R 3652/4885NPY1R 4148/4885NPY5R 3409/4885

“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.