SCHEMBL3493546

SCHEMBL3493546

C[C@@H](CCCCCBr)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.51
NAAA Q02083 3/20 0.43
IL6ST P40189 1/20 0.41
FAAH O00519 1/20 0.39
IDH1 O75874 7/20 0.38
ABCB1 P08183 1/20 0.37
PPARG P37231 1/20 0.37
AGTR2 P50052 1/20 0.36
HDAC1 Q13547 2/20 0.35

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
SCHEMBL23970492 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL28950477 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL28950479 1.00 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL3495345 0.99 PPARA (0.51) PPARANAAAIL6STFAAHIDH1
SCHEMBL357656 0.96 PPARA (0.50) PPARANAAAIL6STFAAHIDH1
SCHEMBL357655 0.96 PPARA (0.50) PPARANAAAIL6STFAAHIDH1
SCHEMBL13295722 0.90 PPARA (0.58) PPARANAAAIL6STIDH1ABCB1
SCHEMBL28582205 0.90 PPARA (0.58) PPARANAAAIL6STIDH1ABCB1
SCHEMBL28708853 0.90 PPARA (0.58) PPARANAAAIL6STIDH1ABCB1
SCHEMBL28708851 0.90 PPARA (0.58) PPARANAAAIL6STIDH1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359291-B2 Non-natural amino acids MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2016-06-07 US disclosed
US-20130217632-A1 Non-Natural Amino Acids MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2013-08-22 US disclosed
US-20100130432-A1 Non-Natural Amino Acids and Neurotensin Analogues Thereof Argolyn Bioscience Inc. and Medical University of South Carolina [MUSC] 2010-05-27 US disclosed
US-20080234202-A1 Non-natural amino acids and neurotensin analogues ARGOLYN BIOSCIENCES, INC. 2008-09-25 US disclosed
EP-1962884-A2 NON-NATURAL AMINO ACIDS AND NEUROTENSIN ANALOGUES THEREOF Argolyn Bioscience, Inc. (US) 2008-09-03 EP disclosed
US-20080139481-A1 Non-Natural Amino Acids DIX THOMAS A 2008-06-12 US disclosed
WO-2007070672-A2 NON-NATURAL AMINO ACIDS AND NEUROTENSIN ANALOGUES THEREOF ARGOLYN BIOSCIENCE, INC. (US) 2007-06-21 WO disclosed
EP-1768951-A2 NON-NATURAL AMINO ACIDS MUSC Foundation For Research Development (US) 2007-04-04 EP disclosed
WO-2006009902-A2 NON-NATURAL AMINO ACIDS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2006-01-26 WO 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-20130217632-A1 Non-Natural Amino Acids NGLY1, NPPA, DNPEP PPARA 4527/4885NAAA 51/4885IL6ST 3722/4885
US-20080139481-A1 Non-Natural Amino Acids NGLY1, DNPEP, NTSR1 PPARA 4570/4885NAAA 42/4885IL6ST 3532/4885
US-20080234202-A1 Non-natural amino acids and neurotensin analogues NGLY1, NTSR1, NTSR2 PPARA 3992/4885NAAA 80/4885IL6ST 1540/4885
US-20100130432-A1 Non-Natural Amino Acids and Neurotensin Analogues Thereof NGLY1, NTSR1, NTSR2 PPARA 4554/4885NAAA 34/4885IL6ST 2948/4885

“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.