SCHEMBL20100673

SCHEMBL20100673

CC(C)(C)C(=O)CC[C@H](NC(=O)CCCCCCCCCCc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
NOD1 Q9Y239 1/20 0.43
ACE P12821 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
UTS2R Q9UKP6 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FAAH O00519 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
PTGFR P43088 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL20100671 0.88 ITGB3 (0.47) ALBHDAC1ITGB3ITGA2BNOD1
SCHEMBL20100670 0.86 NOD1 (0.41) ALBITGB3ITGA2BNOD1CTSG
SCHEMBL20126945 0.85 NOD1 (0.40) ALBHDAC1HDAC8NOD1RXRA
SCHEMBL20100672 0.79 NOD1 (0.40) ITGB3ITGA2BNOD1FAAH
SCHEMBL20100658 0.78 NOD1 (0.52) ITGB3ITGA2BNOD1
SCHEMBL20100660 0.78 NOD1 (0.52) ITGB3ITGA2BNOD1
SCHEMBL29324465 0.77 NOD1 (0.57) NOD1
SCHEMBL21282066 0.77 NOD1 (0.57) NOD1
SCHEMBL21955523 0.77 NOD1 (0.57) NOD1
SCHEMBL25715312 0.77 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R ALB 3856/4885HDAC1 4274/4885HDAC8 3731/4885

“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.