Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2332222

N=C(N)Nc1ccnc(Cl)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.56
SMARCA4 P51532 8/20 0.56
GRM5 P41594 3/20 0.44
HDAC4 P56524 1/20 0.44
AR P10275 1/20 0.41
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36

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 SCHEMBL27775256 1.00 SMARCA2 (0.56) SMARCA2SMARCA4GRM5HDAC4AR
Trifluoroacetic Acid SCHEMBL15620942 0.83 SORT1 (0.51) SMARCA2SMARCA4GRM5HDAC4
SCHEMBL9278345 0.77 SMARCA2 (0.65) SMARCA2SMARCA4GRM5HDAC4AR
SCHEMBL1400789 0.75 SMARCA2 (0.68) SMARCA2SMARCA4GRM5HDAC4AR
Phenylguanidine SCHEMBL7425328 0.74 CHIT1 (0.49) HDAC4KLK1KLK5ALDH1A1RAB9A
SCHEMBL9599834 0.73 SMARCA2 (0.86) SMARCA2SMARCA4ALDH1A1RAB9AMAPT
SCHEMBL22125245 0.71 SMARCA2 (1.00) SMARCA2SMARCA4HDAC4
SCHEMBL5145795 0.71 SMARCA2 (0.65) SMARCA2SMARCA4ARJAK2TYK2
SCHEMBL31434913 0.71 SMARCA2 (0.66) SMARCA2SMARCA4GRM5JAK2TYK2
SCHEMBL26922946 0.71 SMARCA2 (0.57) SMARCA2SMARCA4GRM5HDAC4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273759-B2 Fungicide heterocyclyl-pyrimidinyl-amino derivatives BAYER CROPSCIENCE AG (DE) 2012-09-25 US disclosed
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 US disclosed
EP-2356107-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-17 EP disclosed
US-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-08-12 US disclosed
WO-2010055077-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-05-20 WO disclosed
EP-2164841-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-03-24 EP disclosed
WO-2008148889-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-12-11 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-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP1A2, PNPO SMARCA2 3430/4885SMARCA4 3101/4885GRM5 2422/4885
US-20100204229-A1 FUNGICIDE HETEROCYCLYL-PYRIMIDINYL-AMINO DERIVATIVES PAH, CYP4X1, PRXL2A SMARCA2 3247/4885SMARCA4 2956/4885GRM5 2376/4885

“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.