SCHEMBL14123158

SCHEMBL14123158

CC(C)C[C@H](NC(=O)C1O[C@H]1C(=O)NCCCCCCO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.56
▸ NPY5R Q15761 10/20 0.56
▸ NPY1R P25929 10/20 0.56
▸ NPY2R P49146 7/20 0.56

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
SCHEMBL14123073 1.00 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2R
SCHEMBL14122874 0.96 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2R
SCHEMBL14123114 0.96 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2R
SCHEMBL14122901 0.93 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2R
SCHEMBL14123146 0.90 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2R
SCHEMBL14122906 0.89 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2R
SCHEMBL15579592 0.89 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2R
SCHEMBL14123240 0.89 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2R
SCHEMBL15579556 0.88 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2R
SCHEMBL14123055 0.88 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 — — US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 — — US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 — — 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-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES SERPINB1, EPHX1, EPX NPY4R 4838/4885NPY5R 4672/4885NPY1R 4739/4885

“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.

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