Sugi Predict

Sugi Predict / Compounds / SCHEMBL404304

SCHEMBL404304

SCHEMBL404304

C[C@@H](O)[C@H](NCc1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MEP1B Q16820 2/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ANPEP P15144 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47

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 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL399832 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL399676 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL14195913 0.90 MEP1B (0.61) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL2876648 0.89 MEP1B (0.48) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL2258599 0.89 MEP1B (0.54) MEP1BHDAC3HDAC4HDAC1HDAC7
SCHEMBL12361485 0.89 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL402593 0.87 BACE1 (0.47) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL400880 0.87 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1HTTNPSR1
SCHEMBL404740 0.86 MEP1B (0.48) MEP1BANPEPHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189786-B2 Antibacterial compounds DUKE UNIVERSITY (US) 2019-01-29 — — US disclosed
US-10189786-B2 Antibacterial compounds DUKE UNIVERSITY (US) 2019-01-29 — — US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 — — US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
US-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 — — US disclosed
US-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 — — US disclosed
US-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 — — US disclosed
WO-2015024011-A2 ANTIBACTERIAL COMPOUNDS DUKE UNIVERSITY (US) 2015-02-19 — — WO disclosed
WO-2015024021-A2 ANTIBACTERIAL COMPOUNDS DUKE UNIVERSITY (US) 2015-02-19 — — WO 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
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 — — 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 (7 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 ALDH1A1 782/4885LMNA 3397/4885MAPK1 1831/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 ALDH1A1 3069/4885LMNA 1043/4885MAPK1 3450/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ALDH1A1 687/4885LMNA 3214/4885MAPK1 2069/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885LMNA 3397/4885MAPK1 1831/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885LMNA 3397/4885MAPK1 1831/4885
US-10189786-B2 Antibacterial compounds Q6ZSR9, MRPL21, XDH ALDH1A1 2944/4885LMNA 3247/4885MAPK1 2810/4885
US-20160200673-A1 Antibacterial Compounds Q6ZSR9, MRPL21, XDH ALDH1A1 2944/4885LMNA 3247/4885MAPK1 2810/4885

“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.