Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14745941

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCNCC2)c(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BACE1 P56817 5/20 0.40
CYP2C9 P11712 2/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
TOP2A P11388 2/20 0.38
CYP1A2 P05177 1/20 0.38
TOP2B Q02880 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL14758778 0.96 ALDH1A1 (0.47) LMNAKDM4EALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL14744879 0.86 KHK (0.39) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14745942 0.86 ALDH1A1 (0.40) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14740891 0.85 NPC1 (0.47) LMNAALDH1A1HPGDTSHRMAOA
SCHEMBL14745621 0.81 L3MBTL1 (0.43) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14745182 0.80 KHK (0.42) KDM4EALDH1A1HSD17B10TSHR
SCHEMBL14745598 0.77 ALDH1A1 (0.40) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17594890 0.76 PDE3B (0.40) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL14745049 0.76 LMNA (0.41) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14741255 0.75 NOTUM (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR

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 LMNA 2119/4885KDM4E 4305/4885ALDH1A1 3792/4885

“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.