SCHEMBL3013565

SCHEMBL3013565

COC(=O)C(CN)NC(=O)c1ccc(C#CC=Cc2ccc(CO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ACACB O00763 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 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
SCHEMBL3013561 1.00 TAS1R3 (0.43) TAS1R3TAS1R1L3MBTL1GAARAB9A
SCHEMBL3013566 1.00 TAS1R3 (0.43) TAS1R3TAS1R1L3MBTL1GAARAB9A
SCHEMBL3007363 0.90 GAA (0.45) TAS1R3TAS1R1GAARAB9A
SCHEMBL3007354 0.90 GAA (0.45) TAS1R3TAS1R1GAARAB9A
SCHEMBL3007360 0.90 GAA (0.45) TAS1R3TAS1R1GAARAB9A
SCHEMBL13245185 0.89 TAS1R3 (0.43) TAS1R3TAS1R1L3MBTL1GAARAB9A
SCHEMBL13267187 0.88 TAS1R3 (0.51) TAS1R3TAS1R1L3MBTL1GAARAB9A
SCHEMBL13245114 0.88
SCHEMBL13245296 0.88
SCHEMBL3017884 0.85 KMT2A (0.46) RAB9A

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 TAS1R3 4086/4885TAS1R1 3410/4885L3MBTL1 2488/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TAS1R3 4086/4885TAS1R1 3410/4885L3MBTL1 2488/4885

“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.