Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL442934

CN(C(=O)c1cccc(C2CCNCC2)n1)C1CCCc2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
SPR P35270 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
HTR6 P50406 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
PDE2A O00408 1/20 0.34
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CCR6 P51684 1/20 0.33

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
Hydrochloric Acid SCHEMBL1273510 0.93 ALDH1A1 (0.48) RAB9AALDH1A1XBP1HTTSPR
SCHEMBL442935 0.82 ALDH1A1 (0.42) RAB9AALDH1A1XBP1HTTSPR
SCHEMBL440601 0.81 RAB9A (0.47) RAB9AALDH1A1XBP1HTTSPR
SCHEMBL440381 0.77 ALDH1A1 (0.42) RAB9AALDH1A1XBP1HTTSPR
Hydrochloric Acid SCHEMBL4755003 0.76 ALDH1A1 (0.47) RAB9AALDH1A1XBP1HTTSPR
Hydrochloric Acid SCHEMBL2584364 0.76 ALDH1A1 (0.47) RAB9AALDH1A1XBP1HTTSPR
SCHEMBL438391 0.73 GAA (0.41) RAB9AALDH1A1XBP1HTTSPR
Trifluoroacetic Acid SCHEMBL28665355 0.68 CDK4 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL9957488 0.68 ALDH1A1 (0.72) RAB9AALDH1A1XBP1HTTSPR
SCHEMBL11743947 0.68 ALDH1A1 (0.68) RAB9AALDH1A1XBP1HTTSPR

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
US-8748420-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-8604040-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
EP-2576539-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES Bayer CropScience AG (DE) 2013-04-10 EP disclosed
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
WO-2011147765-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-01 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 (2 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-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 RAB9A 2497/4885ALDH1A1 1009/4885XBP1 2721/4885
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 RAB9A 2394/4885ALDH1A1 1051/4885XBP1 2767/4885

“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.