SCHEMBL402593

SCHEMBL402593

C[C@@H](O)[C@H](NCc1ccc(-c2ccc(CN)cc2)cc1)C(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
MEP1B Q16820 4/20 0.46
BACE2 Q9Y5Z0 1/20 0.41
TPSAB1 Q15661 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL12064314 0.87 ALDH1A1 (0.52) MEP1BHDAC3HDAC6ALDH1A1LMNA
SCHEMBL399832 0.87 ALDH1A1 (0.52) MEP1BHDAC3HDAC6ALDH1A1LMNA
SCHEMBL399676 0.87 ALDH1A1 (0.52) MEP1BHDAC3HDAC6ALDH1A1LMNA
SCHEMBL404304 0.87 ALDH1A1 (0.52) MEP1BHDAC3HDAC6ALDH1A1LMNA
SCHEMBL16994925 0.86 BACE1 (0.45) BACE1BACE2TPSAB1PLGPRSS1
SCHEMBL2876648 0.85 MEP1B (0.48) BACE1MEP1BHDAC3HDAC6ITGB3
SCHEMBL2258599 0.85 MEP1B (0.54) MEP1BHDAC3HDAC6
SCHEMBL12055965 0.83 MMP2 (0.53) MEP1BHRH3
SCHEMBL402962 0.82 MEN1 (0.44)
SCHEMBL4540293 0.81 HDAC6 (0.53) HDAC3HDAC6NCOR2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS BACE1 1994/4885MEP1B 1047/4885BACE2 1883/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS BACE1 1994/4885MEP1B 1047/4885BACE2 1883/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS BACE1 1994/4885MEP1B 1047/4885BACE2 1883/4885

“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.