SCHEMBL14745169

SCHEMBL14745169

CCc1c(-c2ccc(N3CCC(N(C)C)C3)cc2F)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CHEK2 O96017 2/20 0.37
MCHR1 Q99705 6/20 0.36
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
WDR5 P61964 2/20 0.35
NOTUM Q6P988 1/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
APLNR P35414 1/20 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
SCHEMBL14745050 0.89 MYC (0.37) KCNH2WDR5NOTUMAPLNR
SCHEMBL14758616 0.89 MYC (0.37) KCNH2WDR5NOTUMAPLNR
SCHEMBL14741204 0.89 MYC (0.38) WDR5
SCHEMBL14758611 0.89 MYC (0.38) WDR5
SCHEMBL14758924 0.86 KCNH2 (0.62) KCNH2MCHR1TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL14745204 0.85 KCNH2 (0.61) KCNH2MCHR1TLR9TLR8TLR7
SCHEMBL14741313 0.84 GRK6 (0.41)
SCHEMBL14741181 0.83 KCNH2 (0.45) KCNH2FPR1FPR2CTSKCTSC
SCHEMBL14756993 0.78 KCNH2 (0.42) KCNH2FPR1FPR2CHEK2MCHR1
SCHEMBL14747101 0.78 KCNH2 (0.41) KCNH2FPR1FPR2CHEK2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US claimed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
CN-103889223-A Antibacterial compounds and methods for use PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033240-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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP KCNH2 3306/4885FPR1 440/4885FPR2 769/4885

“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.