Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14745223

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.42
PIM3 Q86V86 2/20 0.42
AURKB Q96GD4 2/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
CLK2 P49760 1/20 0.42
MAP4K2 Q12851 1/20 0.42
CAMK2D Q13557 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DPP4 P27487 7/20 0.39
DPP7 Q9UHL4 4/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 2/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14745376 0.95 DYRK1A (0.45) DYRK1APIM3AURKBPRKD3MAP4K4
SCHEMBL16577233 0.95 DYRK1A (0.45) DYRK1APIM3AURKBPRKD3MAP4K4
Hydrochloric Acid SCHEMBL14745516 0.94 DYRK1A (0.44) DYRK1APIM3AURKBPRKD3MAP4K4
SCHEMBL14745346 0.89 DYRK1A (0.38) DYRK1APIM3AURKBPRKD3MAP4K4
Trifluoroacetic Acid SCHEMBL14744733 0.89 TOP1 (0.44) PIM1PRKD2DPP4DPP7DPP8
SCHEMBL14741246 0.88 KCNH2 (0.41) DYRK1APIM3AURKBPRKD3MAP4K4
SCHEMBL14745306 0.88 KCNH2 (0.41) DYRK1APIM3AURKBPRKD3MAP4K4
SCHEMBL14741014 0.88 KCNH2 (0.41) DYRK1APIM3AURKBPRKD3MAP4K4
Trifluoroacetic Acid SCHEMBL17595148 0.87 KCNH2 (0.53) HRH4HRH3KCNH2
Trifluoroacetic Acid SCHEMBL14741133 0.87 KCNH2 (0.53) HRH4HRH3KCNH2

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
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 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

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 DYRK1A 4080/4885PIM3 2605/4885AURKB 3747/4885

“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.