SCHEMBL3016958

SCHEMBL3016958

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
CYP26A1 O43174 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL3016953 1.00 GAA (0.51) GAARAB9ACYP26A1TAS1R3TAS1R1
SCHEMBL404522 0.95 GAA (0.53) GAARAB9ACYP26A1
SCHEMBL7448811 0.85 GAA (0.54) GAARAB9ACYP26A1TAS1R3TAS1R1
SCHEMBL7448810 0.85 GAA (0.54) GAARAB9ACYP26A1TAS1R3TAS1R1
SCHEMBL1109199 0.84 CYP26A1 (0.59) GAARAB9ACYP26A1TAS1R3TAS1R1
SCHEMBL438972 0.84
SCHEMBL13245474 0.83 GAA (0.57) GAARAB9ATAS1R3TAS1R1
SCHEMBL3007354 0.83 GAA (0.45) GAARAB9ACYP26A1TAS1R3TAS1R1
SCHEMBL3007360 0.83 GAA (0.45) GAARAB9ACYP26A1TAS1R3TAS1R1
SCHEMBL3007363 0.83 GAA (0.45) GAARAB9ACYP26A1TAS1R3TAS1R1

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 509/4885CYP26A1 159/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 GAA 70/4885RAB9A 509/4885CYP26A1 159/4885

“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.