SCHEMBL1109367

SCHEMBL1109367

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
PPARG P37231 1/20 0.39
ANPEP P15144 1/20 0.39
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL4236836 0.91 ALDH1A1 (0.39) PPARGHDAC1ALDH1A1SMN1; SMN2CA2
SCHEMBL4236841 0.91 MEN1 (0.41) PPARGHDAC1SMN1; SMN2
SCHEMBL461327 0.90
SCHEMBL1109196 0.90 PTPN1 (0.45) PTPN1POLBCTDSP1PPARGHDAC1
SCHEMBL1912211 0.88 PTPN1 (0.40) PTPN1POLBCTDSP1PPARGHDAC1
SCHEMBL404716 0.88 PPARG (0.39) PPARG
SCHEMBL1912145 0.88 PTPN1 (0.43) PTPN1POLBCTDSP1PPARGANPEP
SCHEMBL1109343 0.87 MEN1 (0.47) POLBCTDSP1HDAC1ALDH1A1SMN1; SMN2
SCHEMBL1109528 0.87 MEN1 (0.47) POLBCTDSP1HDAC1ALDH1A1SMN1; SMN2
SCHEMBL1912101 0.87 MEN1 (0.47) PTPN1POLBPPARGHDAC1ALDH1A1

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 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885

“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.