SCHEMBL13245203

SCHEMBL13245203

C[C@@H](NCC(=O)NC[C@H](NC(=O)c1ccc(C#C/C=C/c2ccccc2)cc1)C(=O)NO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.39

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
SCHEMBL3022799 1.00 GPR139 (0.39) GPR139
SCHEMBL3022803 1.00 GPR139 (0.39) GPR139
SCHEMBL3018329 0.91 OPRK1 (0.40) GPR139
SCHEMBL3018325 0.91 OPRK1 (0.40) GPR139
SCHEMBL3018332 0.91 OPRK1 (0.40) GPR139
SCHEMBL13984712 0.89 GPR139 (0.44) GPR139
SCHEMBL404266 0.89 GPR139 (0.44) GPR139
SCHEMBL15382520 0.89 GPR139 (0.44) GPR139
SCHEMBL13245500 0.89 GPR139 (0.44) GPR139
SCHEMBL13267396 0.88 GPR139 (0.45) GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 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 (1 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 GPR139 3853/4885

“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.