Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14744859

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
WDR5 P61964 4/20 0.35
KCNH2 Q12809 1/20 0.33
CHRNA7 P36544 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
ABL1 P00519 1/20 0.31
INSR P06213 1/20 0.31
NPM1 P06748 1/20 0.31
IGF1R P08069 1/20 0.31
BCR P11274 1/20 0.31
FLT3 P36888 1/20 0.31
ALK Q9UM73 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
SCHEMBL16567885 0.95 HRH3 (0.46) HRH3CTSKCTSCWDR5KCNH2
SCHEMBL14744863 0.87 HRH3 (0.41) HRH3CTSKCTSCWDR5KCNH2
Trifluoroacetic Acid SCHEMBL14745348 0.87 ADK (0.40)
Trifluoroacetic Acid SCHEMBL14745505 0.85 KDM4E (0.33) WDR5KCNH2CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL14745081 0.82 CACNA1B (0.35) KCNH2PARP1
Trifluoroacetic Acid SCHEMBL14745234 0.82 CACNA1B (0.35) KCNH2PARP1
Trifluoroacetic Acid SCHEMBL14745544 0.82 PARP1 (0.33) HRH3KCNH2PARP1CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL16568516 0.82 PARP1 (0.33) HRH3KCNH2PARP1CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL14745542 0.82 PARP1 (0.33) HRH3KCNH2PARP1CHRNB2CHRNA4
SCHEMBL14758802 0.82 CHRNA7 (0.36) KCNH2CHRNA7PARP1CHRNB2CHRNA4

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 10 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-3277677-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2018-02-07 EP disclosed
WO-2016156816-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2016-10-06 WO disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP 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
WO-2013033258-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 HRH3 3440/4885CTSK 117/4885CTSC 249/4885

“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.