Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17894532

N=C(N)Nc1cccc2c1CCCC2.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
SIGMAR1 Q99720 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.48
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44

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
SCHEMBL17894510 0.87 SIGMAR1 (0.61) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL18917078 0.86 SIGMAR1 (0.60) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9293166 0.84 SIGMAR1 (0.61) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL3728781 0.80 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL2357753 0.78 ALDH1A1 (0.63) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL19657599 0.78 SIGMAR1 (0.59) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL6627142 0.77 ALDH1A1 (0.65) ALDH1A1L3MBTL1MEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL3728778 0.76 CXCR5 (0.46) L3MBTL1MEN1KMT2ARXRARXRB
Trifluoroacetic Acid SCHEMBL3728784 0.76 BCL2L1 (0.44) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL6857068 0.75 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB ALDH1A1 1734/4885L3MBTL1 813/4885MEN1 3309/4885

“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.