SCHEMBL14028314

SCHEMBL14028314

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.41
NPY4R P50391 9/20 0.40
NPY1R P25929 6/20 0.40
NPY2R P49146 5/20 0.40
NPY5R Q15761 5/20 0.40
KEAP1 Q14145 1/20 0.38
TFPI P10646 1/20 0.37
EPHX2 P34913 1/20 0.37
GLO1 Q04760 1/20 0.37

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
SCHEMBL31031613 0.96 NOD1 (0.43) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30974097 0.93 GLO1 (0.41) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL13496859 0.93 NPY4R (0.40) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL7394659 0.93 NPY4R (0.40) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29404748 0.91 NOD1 (0.47) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31091376 0.91 NPY4R (0.45) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29391114 0.91 NOD1 (0.44) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31000882 0.91 PTGS1 (0.45) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30567417 0.89 NOD1 (0.42) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29642947 0.89 TFPI (0.44) NPY4RNPY1RNPY2RNPY5RKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718687-B2 Biomoletron for regulation stem cell differentiation SOGANGN UNIVERSITY RESEARCH FOUNDATION (KR) 2023-08-08 US claimed
EP-4631545-A1 METHOD FOR TREATING ULCERATIVE COLITIS OR PRIMARY SCLEROSING CHOLANGITIS Kyoto University (JP) 2025-10-15 EP disclosed
WO-2024122553-A1 METHOD FOR TREATING ULCERATIVE COLITIS OR PRIMARY SCLEROSING CHOLANGITIS 国立大学法人京都大学 2024-06-13 WO disclosed
WO-2023191209-A1 MICELLE INCLUDING HYDROPHILIC PEPTIDE AND USE THEREOF 주식회사 퓨전바이오텍 2023-10-05 WO disclosed
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 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-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 NOD1 1944/4885NPY4R 2823/4885NPY1R 2802/4885

“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.