SCHEMBL3019809

SCHEMBL3019809

CC(C)(C)Oc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.44
GABRA5 P31644 6/20 0.36
GABRA1 P14867 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRA6 Q16445 3/20 0.36
APP P05067 2/20 0.33
RIPK1 Q13546 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KIF11 P52732 1/20 0.31
GABRA4 P48169 3/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL9303544 0.83 ACACB (0.56) ACACBAPPSLC6A2SLC6A4SLC6A3
SCHEMBL3485737 0.83 ACACB (0.43) ACACBGABRA5GABRA1GABRG2GABRB3
SCHEMBL8960130 0.81 ACACB (0.31) ACACBGABRA5GABRA1GABRG2GABRB3
SCHEMBL8983744 0.81 ACACB (0.32) ACACBGABRA5GABRA1GABRG2GABRB3
SCHEMBL3846192 0.79 GRM5 (0.39) ACACBGABRA5GABRA1GABRG2GABRB3
SCHEMBL19297787 0.79 PREP (0.42) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL1306384 0.78 GABRA1 (0.38) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL673162 0.78 APP (0.55) ACACBAPP
SCHEMBL1306505 0.76 APP (0.41) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18245069 0.76 ACACB (0.46) ACACBAPPRIPK1SLC6A2SLC6A4

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 11 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-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
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
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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 ACACB 3224/4885GABRA5 3601/4885GABRA1 2881/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ACACB 3224/4885GABRA5 3601/4885GABRA1 2881/4885

“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.