SCHEMBL3575830

SCHEMBL3575830

N[C@@H]1C(=O)O[C@H]2CCCCC[C@H]21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.44
F2 P00734 10/20 0.44
CTRC Q99895 3/20 0.44

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
SCHEMBL3578767 1.00 PRSS1 (0.44) PRSS1F2CTRC
SCHEMBL6672676 0.98 PRSS1 (0.46) PRSS1F2CTRC
SCHEMBL7886105 0.98 PRSS1 (0.46) PRSS1F2CTRC
SCHEMBL6668341 0.98 PRSS1 (0.46) PRSS1F2CTRC
SCHEMBL6668345 0.98 PRSS1 (0.46) PRSS1F2CTRC
SCHEMBL25724111 0.75 PRSS1 (0.42) PRSS1F2CTRC
SCHEMBL5529318 0.74 PRSS1 (0.44) PRSS1F2CTRC
SCHEMBL2954265 0.70 PRSS1 (0.36) PRSS1F2CTRC
SCHEMBL4046976 0.70 PRSS1 (0.36) PRSS1F2CTRC
SCHEMBL20617569 0.70 PRSS1 (0.36) PRSS1F2CTRC

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-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 US disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 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 (3 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-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC PRSS1 825/4885F2 1378/4885CTRC 3415/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 PRSS1 934/4885F2 2366/4885CTRC 4433/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE PRSS1 1631/4885F2 1099/4885CTRC 3656/4885

“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.