SCHEMBL1109121

SCHEMBL1109121

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PTPN1 P18031 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL399689 0.91
SCHEMBL1109437 0.89 PTPN1 (0.41) POLBCTDSP1PTPN1GAAPPARG
SCHEMBL1912124 0.89 GAA (0.45) POLBCTDSP1PTPN1GAAPPARG
SCHEMBL14224467 0.88 PTPN1 (0.40) POLBCTDSP1PTPN1GAAHTT
SCHEMBL1912116 0.88 GAA (0.41) POLBCTDSP1PTPN1GAAPPARG
SCHEMBL1109182 0.87 GAA (0.55) PTPN1GAASMN1; SMN2USP2PPARG
SCHEMBL1109454 0.87 KDM4E (0.47) POLBCTDSP1PTPN1GAAPPARG
SCHEMBL10286658 0.87 GAA (0.43) POLBCTDSP1PTPN1GAAPPARG
SCHEMBL1912145 0.86 PTPN1 (0.43) POLBCTDSP1PTPN1GAAPPARG
SCHEMBL1109275 0.86 PTPN1 (0.39) POLBCTDSP1PTPN1GAA

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

“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.