Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14745308

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ USP2 O75604 10/20 0.33
▸ ALDH1A1 P00352 7/20 0.33
▸ HSD17B10 Q99714 6/20 0.33
▸ CYP1A2 P05177 6/20 0.33
▸ HPGD P15428 4/20 0.33
▸ CYP2C9 P11712 4/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ CYP3A4 P08684 9/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TP53 P04637 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32

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
SCHEMBL14758917 0.95 PTPN11 (0.36) USP2ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL14745309 0.86 PARP1 (0.33) USP2ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL14745233 0.84 MGLL (0.40) USP2ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL14741320 0.84 USP2 (0.34) KCNH2USP2ALDH1A1HSD17B10CYP1A2
SCHEMBL14745041 0.84 ALDH1A1 (0.34) USP2ALDH1A1HSD17B10CYP1A2HPGD
Trifluoroacetic Acid SCHEMBL14744879 0.82 KHK (0.39) USP2ALDH1A1HSD17B10HPGDCYP2C9
Trifluoroacetic Acid SCHEMBL14741067 0.82 KCNH2 (0.32) KCNH2SSTR5PTGDRUSP2ALDH1A1
SCHEMBL14745192 0.82 USP2 (0.36) KCNH2USP2ALDH1A1HSD17B10CYP1A2
Trifluoroacetic Acid SCHEMBL14745099 0.81 KCNH2 (0.38) KCNH2CYP3A4PARP1PARP2FFAR4
Trifluoroacetic Acid SCHEMBL14745071 0.80 DPP4 (0.35) KCNH2PARP1PARP2

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 KCNH2 3306/4885SSTR5 4740/4885PTGDR 4548/4885

“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.