SCHEMBL14745237

SCHEMBL14745237

CCc1cc(C(=O)OC(=O)C(F)(F)F)c(=O)[nH]c1-c1ccc(N2C[C@H]3CC[C@H](N)[C@H]3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.35
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 1/20 0.31
CLK2 P49760 1/20 0.31
MAP4K2 Q12851 1/20 0.31
CAMK2D Q13557 1/20 0.31
DYRK1A Q13627 1/20 0.31
PIM3 Q86V86 1/20 0.31
AURKB Q96GD4 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
STK17A Q9UEE5 1/20 0.31
MAP4K5 Q9Y4K4 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL14745082 1.00 CACNA1B (0.35) CACNA1BPRKD3MAP4K4PIM1CLK2
SCHEMBL17594910 0.95 CACNA1B (0.33) CACNA1BPRKD3MAP4K4PIM1CLK2
SCHEMBL17595147 0.95 CACNA1B (0.33) CACNA1BPRKD3MAP4K4PIM1CLK2
Trifluoroacetic Acid SCHEMBL14745081 0.87 CACNA1B (0.35) CACNA1BPARP1PARP2KCNH2
Trifluoroacetic Acid SCHEMBL14745234 0.87 CACNA1B (0.35) CACNA1BPARP1PARP2KCNH2
SCHEMBL14745075 0.86 PARP1 (0.31) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL16567990 0.86 CACNA1B (0.33) CACNA1BPRKD3MAP4K4PIM1CLK2
SCHEMBL16568309 0.86 CACNA1B (0.33) CACNA1BPRKD3MAP4K4PIM1CLK2
SCHEMBL14745985 0.86 CACNA1B (0.33) CACNA1B
SCHEMBL17594875 0.85 CACNA1B (0.38) CACNA1BPARP1PARP2

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 CACNA1B 3215/4885PRKD3 4298/4885MAP4K4 3941/4885

“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.