SCHEMBL1109507

SCHEMBL1109507

CC(C)CNCC(=O)Nc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
CTSB P07858 3/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HPGDS O60760 1/20 0.40
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
DGAT1 O75907 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
HDAC1 Q13547 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ANPEP P15144 1/20 0.38
CYP26A1 O43174 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
SCHEMBL403781 0.91
SCHEMBL1109148 0.89 TERT (0.43) CTSBPOLBCTDSP1HDAC1ANPEP
SCHEMBL404229 0.89
SCHEMBL1109176 0.87 GAA (0.45) POLBCTDSP1HDAC1GPR55CYP26A1
SCHEMBL1109393 0.87 POLB (0.42) PTPN1CTSBPOLBCTDSP1HPGDS
SCHEMBL1109135 0.87 POLB (0.44) PTPN1CTSBPOLBCTDSP1HPGDS
SCHEMBL1109348 0.86 CTSB (0.47) CTSBPOLBCTDSP1CTSLCTSS
SCHEMBL1109234 0.86 ANPEP (0.39) POLBCTDSP1HDAC1ANPEPCYP26A1
SCHEMBL1109246 0.85 GAA (0.55) POLBCTDSP1HDAC1CYP26A1
SCHEMBL1109137 0.85 KDM4E (0.47) POLBCTDSP1CTSLCTSSCTSK

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 2974/4885CTSB 259/4885POLB 640/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885CTSB 259/4885POLB 640/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885CTSB 259/4885POLB 640/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885CTSB 259/4885POLB 640/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885CTSB 259/4885POLB 640/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PTPN1 2974/4885CTSB 259/4885POLB 640/4885

“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.