SCHEMBL14745440

SCHEMBL14745440

CCc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
FAAH O00519 1/20 0.37
TLR9 Q9NR96 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
TLR8 Q9NR97 2/20 0.36
DHODH Q02127 4/20 0.35
CFD P00746 1/20 0.33
ENPP2 Q13822 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CHEK1 O14757 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14740950 0.98 FAAH (0.37) MCHR1FAAHTLR9TLR7TLR8
Trifluoroacetic Acid SCHEMBL17597836 0.95 MCHR1 (0.36) MCHR1FAAHTLR9TLR7TLR8
Trifluoroacetic Acid SCHEMBL17597300 0.93 MCHR1 (0.34) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14744908 0.93 MCHR1 (0.38) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14745296 0.92 MCHR1 (0.37) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14746156 0.92 MCHR1 (0.37) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14745474 0.91 MCHR1 (0.37) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14741232 0.91 MCHR1 (0.36) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL17597837 0.89 MCHR1 (0.34) MCHR1FAAHTLR9TLR7TLR8
Trifluoroacetic Acid SCHEMBL17597691 0.87 MCHR1 (0.35) MCHR1FAAHTLR9TLR7TLR8

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 13 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
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO 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
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 MCHR1 4817/4885FAAH 4028/4885TLR9 392/4885

“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.