SCHEMBL404522

SCHEMBL404522

COC(=O)[C@H](CN)NC(=O)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
GRM5 P41594 1/20 0.47
CYP26A1 O43174 1/20 0.46

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
SCHEMBL3016958 0.95 GAA (0.51) GAARAB9ACYP26A1
SCHEMBL3016953 0.95 GAA (0.51) GAARAB9ACYP26A1
SCHEMBL13245474 0.88 GAA (0.57) GAARAB9A
SCHEMBL7448810 0.87 GAA (0.54) GAARAB9ACYP26A1
SCHEMBL7448811 0.87 GAA (0.54) GAARAB9ACYP26A1
SCHEMBL1109199 0.86 CYP26A1 (0.59) GAARAB9ACYP26A1
SCHEMBL2874514 0.86 PIN1 (0.54)
SCHEMBL4873894 0.86 GAA (0.52) GAARAB9AGRM5
SCHEMBL3007354 0.85 GAA (0.45) GAARAB9ACYP26A1
SCHEMBL3007360 0.85 GAA (0.45) GAARAB9ACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 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
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-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 (8 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 GAA 79/4885RAB9A 557/4885GRM5 4653/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS GAA 79/4885RAB9A 557/4885GRM5 4653/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS GAA 79/4885RAB9A 557/4885GRM5 4653/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 GAA 70/4885RAB9A 509/4885GRM5 4721/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GAA 79/4885RAB9A 557/4885GRM5 4653/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 GAA 70/4885RAB9A 509/4885GRM5 4721/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GAA 79/4885RAB9A 557/4885GRM5 4653/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS GAA 79/4885RAB9A 557/4885GRM5 4653/4885

“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.