SCHEMBL3016237

SCHEMBL3016237

COC(=O)C(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(C#CC=Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SYK P43405 1/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PTPN11 Q06124 1/20 0.37
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
KLK5 Q9Y337 1/20 0.36

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
SCHEMBL3016233 1.00 GAA (0.40) GAARAB9ASYKCTSGCMA1
SCHEMBL3016239 1.00 GAA (0.40) GAARAB9ASYKCTSGCMA1
SCHEMBL3128657 0.91 TAS1R3 (0.38) GAARAB9ASYKTAS1R3TAS1R1
SCHEMBL3128670 0.91 TAS1R3 (0.38) GAARAB9ASYKTAS1R3TAS1R1
SCHEMBL3128676 0.91 TAS1R3 (0.38) GAARAB9ASYKTAS1R3TAS1R1
SCHEMBL3013330 0.88 GAA (0.46) GAARAB9ASYKCTSGCMA1
SCHEMBL13267008 0.88 TAS1R3 (0.46) GAARAB9ASYKTAS1R3TAS1R1
SCHEMBL3014363 0.86 GAA (0.44) GAARAB9ASYKCTSGCMA1
SCHEMBL3014367 0.86 GAA (0.44) GAARAB9ASYKCTSGCMA1
SCHEMBL13245204 0.86 GAA (0.44) GAARAB9ATAS1R3TAS1R1F10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 GAA 70/4885RAB9A 509/4885SYK 3106/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 GAA 70/4885RAB9A 509/4885SYK 3106/4885

“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.