SCHEMBL14745942

SCHEMBL14745942

CCc1cc(C(=O)OC(=O)C(F)(F)F)c(=O)[nH]c1-c1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
HTT P42858 1/20 0.40
CYP2J2 P51589 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F10 P00742 1/20 0.36
MAPT P10636 4/20 0.35
MAPKAPK2 P49137 1/20 0.34
CYP2C9 P11712 1/20 0.34
ATP6V1B2 P21281 1/20 0.34
TBXA2R P21731 1/20 0.34
EDNRA P25101 1/20 0.34
TARBP2 Q15633 1/20 0.34
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 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
SCHEMBL14744882 0.87 EZH2 (0.38) MAPTPARP1
Trifluoroacetic Acid SCHEMBL14745941 0.86 LMNA (0.46) ALDH1A1HPGDTSHRLMNAKDM4E
SCHEMBL14758778 0.86 ALDH1A1 (0.47) ALDH1A1HPGDTSHRLMNAKDM4E
SCHEMBL14740891 0.75 NPC1 (0.47) ALDH1A1HPGDTSHRLMNAPDE3B
SCHEMBL17595149 0.74 KCNH2 (0.51) KCNH2
SCHEMBL14741135 0.74 KCNH2 (0.51) KCNH2
SCHEMBL17594893 0.74 PDE3B (0.40) ALDH1A1HPGDLMNAKDM4EHSD17B10
SCHEMBL14745225 0.74 PRKD3 (0.44) F10MAPTPDE3BPDE3APARP1
SCHEMBL14745621 0.73 L3MBTL1 (0.43) ALDH1A1HPGDTSHRLMNAKDM4E
SCHEMBL14745309 0.73 PARP1 (0.33) ALDH1A1HPGDLMNAHSD17B10F10

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 ALDH1A1 3792/4885HPGD 1279/4885TSHR 4837/4885

“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.