SCHEMBL401150

SCHEMBL401150

COC(=O)C(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.45
TAS1R3 Q7RTX0 7/20 0.42
TAS1R1 Q7RTX1 7/20 0.42
SYK P43405 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.39
SERPINE1 P05121 1/20 0.39
KLK5 Q9Y337 1/20 0.38
CYP26A1 O43174 1/20 0.37
NAMPT P43490 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
SCHEMBL14400849 1.00 FOLH1 (0.45) FOLH1TAS1R3TAS1R1SYKL3MBTL1
SCHEMBL9925881 0.85 TAS1R3 (0.41) TAS1R3TAS1R1SYKL3MBTL1GAA
SCHEMBL403066 0.85 TAS1R3 (0.41) TAS1R3TAS1R1SYKL3MBTL1GAA
SCHEMBL4300221 0.85 RAB9A (0.58) TAS1R3TAS1R1SYKL3MBTL1GAA
SCHEMBL5926384 0.84 PPARG (0.46) TAS1R3TAS1R1SYKL3MBTL1RAB9A
SCHEMBL13267008 0.83 TAS1R3 (0.46) TAS1R3TAS1R1SYKGAARAB9A
SCHEMBL3013330 0.83 GAA (0.46) SYKGAARAB9A
SCHEMBL3010792 0.82 AAK1 (0.38) SYKHDAC1SERPINE1KLK5
SCHEMBL3010790 0.82 AAK1 (0.38) SYKHDAC1SERPINE1KLK5
SCHEMBL3014363 0.81 GAA (0.44) SYKGAARAB9AKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO FOLH1 420/4885TAS1R3 3257/4885TAS1R1 2698/4885
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS FOLH1 2093/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 FOLH1 114/4885TAS1R3 3989/4885TAS1R1 3724/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 FOLH1 2089/4885TAS1R3 4086/4885TAS1R1 3410/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS FOLH1 2093/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS FOLH1 2093/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS FOLH1 2093/4885TAS1R3 4169/4885TAS1R1 3477/4885

“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.