SCHEMBL14745309

SCHEMBL14745309

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 7/20 0.31
USP2 O75604 7/20 0.31
CYP3A4 P08684 6/20 0.31
MAPK1 P28482 4/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 5/20 0.31
CYP1A2 P05177 4/20 0.31
HPGD P15428 3/20 0.31
CYP2C9 P11712 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RORC P51449 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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 SCHEMBL14745308 0.86 KCNH2 (0.34) PARP1PARP2ALDH1A1USP2CYP3A4
SCHEMBL14758917 0.85 PTPN11 (0.36) PARP1PARP2ALDH1A1USP2CYP3A4
SCHEMBL14744882 0.83 EZH2 (0.38) PARP1PARP2MAPT
SCHEMBL16568169 0.83 PRKD3 (0.31) PARP1PARP2
SCHEMBL14745102 0.82 PRKD3 (0.34) PARP1PARP2MAPTALDH1A1CYP3A4
SCHEMBL14745075 0.81 PARP1 (0.31) PARP1PARP2MAPTPDE3BPDE3A
SCHEMBL14745225 0.81 PRKD3 (0.44) PARP1PARP2MAPTPDE3BPDE3A
SCHEMBL14744736 0.80 TOP1 (0.39) PARP1PARP2MAPT
SCHEMBL14741135 0.78 KCNH2 (0.51)
SCHEMBL17595149 0.78 KCNH2 (0.51)

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 PARP1 2143/4885PARP2 2251/4885MAPT 4110/4885

“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.