SCHEMBL20126950

SCHEMBL20126950

CCCCCCCCCC(C(=O)N[C@@H](CCC(=O)C(C)(C)C)C(=O)O)c1ccc(C)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.38
MME P08473 1/20 0.34
PYGL P06737 1/20 0.34
MMP2 P08253 9/20 0.33
MMP1 P03956 4/20 0.33
MMP3 P08254 4/20 0.33
FOLH1 Q04609 2/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ACE P12821 1/20 0.32

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
SCHEMBL20100662 0.91 ACE (0.38) NOD1MMEMMP2MMP1MMP3
SCHEMBL20126949 0.82 MME (0.41) NOD1MMEPYGLMMP2MMP1
SCHEMBL20126948 0.80 NOD1 (0.38) NOD1MMEPYGLMMP2MMP1
SCHEMBL20100659 0.80 NOD1 (0.41) NOD1MMEMMP2MMP1MMP3
SCHEMBL20100663 0.80 ACE (0.43) NOD1MMEMMP2MMP1MMP3
SCHEMBL20100656 0.77 FOLH1 (0.43) NOD1MMEFOLH1ACE
SCHEMBL20100672 0.75 NOD1 (0.40) NOD1FOLH1
SCHEMBL24796368 0.70 NOD1 (0.73) NOD1SLC6A5
SCHEMBL19273454 0.70 NOD1 (0.73) NOD1SLC6A5
SCHEMBL29603116 0.70 CES2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365644-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 US disclosed
US-11767354-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2023-09-26 US disclosed
US-11732019-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2023-08-22 US disclosed
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-10 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 (4 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-11732019-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY4R, NPY5R, NPY1R NOD1 1513/4885MME 643/4885PYGL 1009/4885
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R NOD1 1513/4885MME 643/4885PYGL 1009/4885
US-20230365644-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NOD1 1373/4885MME 432/4885PYGL 603/4885
US-11767354-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY1R, NPY5R, NPY2R NOD1 1373/4885MME 432/4885PYGL 603/4885

“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.