Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14740932

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.32
DPP7 Q9UHL4 5/20 0.32
DPP8 Q6V1X1 4/20 0.32
DPP9 Q86TI2 3/20 0.32
CACNA1B Q00975 2/20 0.32
PTPN11 Q06124 1/20 0.31
KCNH2 Q12809 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 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
Trifluoroacetic Acid SCHEMBL14741140 1.00 DPP4 (0.32) DPP4DPP7DPP8DPP9CACNA1B
SCHEMBL16568753 0.96 KCNH2 (0.33) CACNA1BPTPN11KCNH2PARP1PARP2
SCHEMBL16568225 0.96 KCNH2 (0.33) CACNA1BPTPN11KCNH2PARP1PARP2
Trifluoroacetic Acid SCHEMBL14745234 0.95 CACNA1B (0.35) DPP4DPP7DPP8DPP9CACNA1B
Trifluoroacetic Acid SCHEMBL14745081 0.95 CACNA1B (0.35) DPP4DPP7DPP8DPP9CACNA1B
SCHEMBL16568309 0.90 CACNA1B (0.33) CACNA1BPTPN11KCNH2PARP1PARP2
SCHEMBL16567990 0.90 CACNA1B (0.33) CACNA1BPTPN11KCNH2PARP1PARP2
Trifluoroacetic Acid SCHEMBL14741141 0.88 CACNA1B (0.38) CACNA1BPARP1PARP2
SCHEMBL17594910 0.88 CACNA1B (0.33) CACNA1BPTPN11PARP1PARP2
SCHEMBL17595147 0.88 CACNA1B (0.33) CACNA1BPTPN11PARP1PARP2

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 DPP4 560/4885DPP7 298/4885DPP8 556/4885

“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.