SCHEMBL14744913

SCHEMBL14744913

CCc1c(-c2ccc3c(c2)cc(CN2CCOCC2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
DHODH Q02127 2/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
BAZ2A Q9UIF9 1/20 0.35
ENPP2 Q13822 1/20 0.35
FAAH O00519 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HPGD P15428 4/20 0.34
GAA P10253 3/20 0.34
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
Trifluoroacetic Acid SCHEMBL17597923 0.95 MAOA (0.37) MAOATLR9TLR8TLR7DHODH
SCHEMBL14741232 0.92 MCHR1 (0.36) TLR9TLR8TLR7DHODHENPP2
SCHEMBL14744908 0.92 MCHR1 (0.38) TLR9TLR8TLR7DHODHKDM4E
SCHEMBL14745070 0.91 FAAH (0.38) TLR9TLR8TLR7ALDH1A1LMNA
SCHEMBL14746156 0.91 MCHR1 (0.37) TLR9TLR8TLR7DHODHKDM4E
Hydrochloric Acid SCHEMBL17597442 0.90 FAAH (0.37) TLR9TLR8TLR7ALDH1A1LMNA
SCHEMBL14745492 0.90 FAAH (0.35) BAZ2AFAAHGAA
SCHEMBL14744839 0.90 ALDH1A1 (0.38) MAOATLR9TLR8TLR7ALDH1A1
SCHEMBL14745093 0.89 ENPP2 (0.36) MAOATLR9TLR8TLR7ALDH1A1
Hydrochloric Acid SCHEMBL17597936 0.89 ALDH1A1 (0.37) MAOATLR9TLR8TLR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP MAOA 2236/4885TLR9 392/4885TLR8 350/4885

“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.