SCHEMBL20100670

SCHEMBL20100670

Cc1cc(CCCCCCCCCCC(=O)N[C@@H](CCC(=O)C(C)(C)C)C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.41
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
TACR1 P25103 4/20 0.37
GART P22102 3/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
ALB P02768 1/20 0.35
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL20100673 0.86 ALB (0.47) NOD1ITGB3ITGA2BALBCTSG
SCHEMBL20100671 0.83 ITGB3 (0.47) NOD1ITGB3ITGA2BALBCTSG
SCHEMBL20100672 0.79 NOD1 (0.40) NOD1ITGB3ITGA2BGART
SCHEMBL20126945 0.79 NOD1 (0.40) NOD1GARTALB
SCHEMBL20100658 0.75 NOD1 (0.52) NOD1ITGB3ITGA2B
SCHEMBL20100660 0.75 NOD1 (0.52) NOD1ITGB3ITGA2B
SCHEMBL29324465 0.75 NOD1 (0.57) NOD1
SCHEMBL21955523 0.75 NOD1 (0.57) NOD1
SCHEMBL21282066 0.75 NOD1 (0.57) NOD1
SCHEMBL25715312 0.75 NOD1 (0.57) NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018208-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2024-01-18 US disclosed
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
US-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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 (6 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-20240018208-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R NOD1 1513/4885ITGB3 4362/4885ITGA2B 4388/4885
US-11732019-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY4R, NPY5R, NPY1R NOD1 1513/4885ITGB3 4362/4885ITGA2B 4388/4885
US-20180127476-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY4R, NPY5R, NPY1R NOD1 1513/4885ITGB3 4362/4885ITGA2B 4388/4885
US-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NOD1 1373/4885ITGB3 2460/4885ITGA2B 2766/4885
US-20230365644-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NOD1 1373/4885ITGB3 2460/4885ITGA2B 2766/4885
US-11767354-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY1R, NPY5R, NPY2R NOD1 1373/4885ITGB3 2460/4885ITGA2B 2766/4885

“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.