SCHEMBL1109237

SCHEMBL1109237

NC[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNc3ccc(F)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
ANPEP P15144 1/20 0.43
MGLL Q99685 1/20 0.42
HDAC1 Q13547 5/20 0.42
USP30 Q70CQ3 2/20 0.42
PTPN2 P17706 1/20 0.39
PTPN11 Q06124 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CTSL P07711 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL403055 0.91 HDAC1 (0.40) HDAC1CTSL
SCHEMBL1109241 0.90 HDAC1 (0.53) PTPN1MGLLHDAC1POLBCTDSP1
SCHEMBL1109238 0.89 HDAC1 (0.41) PTPN1ANPEPHDAC1POLBCTDSP1
SCHEMBL402890 0.89 HDAC1 (0.39) HDAC1CTSL
SCHEMBL1912224 0.88 POLB (0.45) HDAC1POLBHDAC3HDAC6
SCHEMBL1109483 0.88 LMNA (0.45) PTPN1ANPEPHDAC1USP30HDAC2
SCHEMBL10286020 0.86 ANPEP (0.53) PTPN1ANPEPCTSL
SCHEMBL1109166 0.86 MEN1 (0.45) PTPN1ANPEPHDAC1USP30HDAC2
SCHEMBL1193865 0.86 HDAC1 (0.46) ANPEPHDAC1USP30POLBCTDSP1
SCHEMBL1109135 0.84 POLB (0.44) PTPN1HDAC1POLBCTDSP1

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 11 patents. 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-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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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 PTPN1 2974/4885ANPEP 744/4885MGLL 749/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885ANPEP 744/4885MGLL 749/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885ANPEP 744/4885MGLL 749/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885ANPEP 744/4885MGLL 749/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885ANPEP 744/4885MGLL 749/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PTPN1 2974/4885ANPEP 744/4885MGLL 749/4885

“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.