Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14745234

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.35
DPP4 P27487 4/20 0.33
DPP7 Q9UHL4 4/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
KCNH2 Q12809 1/20 0.31
PTPN11 Q06124 5/20 0.31
PARP1 P09874 2/20 0.30
PARP2 Q9UGN5 2/20 0.30
F10 P00742 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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 SCHEMBL14745081 1.00 CACNA1B (0.35) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL16567990 0.95 CACNA1B (0.33) CACNA1BKCNH2PTPN11PARP1PARP2
SCHEMBL16568309 0.95 CACNA1B (0.33) CACNA1BKCNH2PTPN11PARP1PARP2
Trifluoroacetic Acid SCHEMBL14741140 0.95 DPP4 (0.32) CACNA1BDPP4DPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL14740932 0.95 DPP4 (0.32) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL16568225 0.90 KCNH2 (0.33) CACNA1BKCNH2PTPN11PARP1PARP2
SCHEMBL16568753 0.90 KCNH2 (0.33) CACNA1BKCNH2PTPN11PARP1PARP2
Trifluoroacetic Acid SCHEMBL17594937 0.90 DPP4 (0.31) DPP4DPP7DPP8DPP9
SCHEMBL14745237 0.87 CACNA1B (0.35) CACNA1BKCNH2PARP1PARP2
SCHEMBL14745082 0.87 CACNA1B (0.35) CACNA1BKCNH2PARP1PARP2

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 3215/4885DPP4 560/4885DPP7 298/4885

“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.