SCHEMBL14745502

SCHEMBL14745502

CCc1cc(C(=O)OC(=O)C(F)(F)F)c(=O)[nH]c1-c1ccc(N2CCC(N3CCOCC3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.36
MCHR1 Q99705 2/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ALK Q9UM73 3/20 0.35
ROS1 P08922 1/20 0.35
KCNH2 Q12809 1/20 0.34
NOTUM Q6P988 1/20 0.34
ELANE P08246 1/20 0.33
MET P08581 1/20 0.33
ENPP2 Q13822 1/20 0.33
AOC3 Q16853 2/20 0.33
CTSK P43235 1/20 0.32
CTSC P53634 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
FGFR1 P11362 1/20 0.32
DDR2 Q16832 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 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
Trifluoroacetic Acid SCHEMBL14745501 0.87 KCNH2 (0.36) DDR1MCHR1PARP1PARP2ALK
SCHEMBL14758821 0.86 KCNH2 (0.38) MCHR1PARP1PARP2ALKROS1
SCHEMBL14745225 0.85 PRKD3 (0.44) DDR1PARP1PARP2KCNH2NOTUM
SCHEMBL14744736 0.84 TOP1 (0.39) PARP1PARP2KCNH2PRKD3MAP4K4
SCHEMBL17595149 0.84 KCNH2 (0.51) MCHR1KCNH2NOTUM
SCHEMBL14741135 0.84 KCNH2 (0.51) MCHR1KCNH2NOTUM
SCHEMBL14745538 0.83 KCNH2 (0.42) MCHR1KCNH2NOTUMPRKD3MAP4K4
SCHEMBL14741004 0.83 KCNH2 (0.38) KCNH2NOTUMCTSKCTSCPRKD3
SCHEMBL14744863 0.81 HRH3 (0.41) KCNH2CTSKCTSC
SCHEMBL14744882 0.81 EZH2 (0.38) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
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

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 DDR1 4324/4885MCHR1 4817/4885PARP1 2143/4885

“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.