Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6621775

NC1=NC(=O)c2ccccc2C1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.36
EDNRA P25101 3/20 0.36
CES1 P23141 1/20 0.35
HTR7 P34969 2/20 0.33
HTR2B P41595 2/20 0.33
DPP7 Q9UHL4 4/20 0.32
DPP8 Q6V1X1 3/20 0.32
BACE1 P56817 2/20 0.32
DPP4 P27487 3/20 0.32
DPP9 Q86TI2 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TLR9 Q9NR96 1/20 0.31
IKBKB O14920 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31

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 SCHEMBL8895987 0.80 HTR7 (0.46) EDNRBEDNRACES1HTR7HTR2B
Trifluoroacetic Acid SCHEMBL8895982 0.67 ATM (0.49) EDNRBEDNRACES1HTR7HTR2B
Trifluoroacetic Acid SCHEMBL15210251 0.67 ALDH1A1 (0.45) EDNRBEDNRAALDH1A1CYP2C19MAPT
Anthraquinone SCHEMBL7263957 0.66 MEN1 (0.57) EDNRBEDNRACES1ALDH1A1L3MBTL1
Aniline SCHEMBL3769652 0.64 TSHR (0.55) CES1L3MBTL1CYP2C19MAPT
Trifluoroacetic Acid SCHEMBL29065252 0.64 HTR2A (0.42) CES1DPP7DPP8MAPT
Acetic Acid SCHEMBL27796355 0.63 POLB (0.52) EDNRBEDNRAHTR7HTR2BMAPT
Trifluoroacetic Acid SCHEMBL23150416 0.63 P2RX7 (0.44) EDNRBEDNRAHTR2BDPP7DPP8
Trifluoroacetic Acid SCHEMBL31373437 0.63 KDM4E (0.47) ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL14352289 0.63 CES1 (0.37) CES1ALDH1A1L3MBTL1

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
EP-1222187-B1 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA (US) 2004-09-22 EP disclosed
US-6770639-B2 CELL PROLIFERATIVE; AUTOIMMUNE DISEASES; ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-03 US disclosed
US-20030166929-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-09-04 US disclosed
US-6506769-B2 Pyridine -imidazole, -thiazole or -oxazole derivatives; treating autoimmune diseases, chronic inflammatory diseases, allergic diseases, transplant rejection and cancer BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
EP-1222187-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-07-17 EP disclosed
US-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-02-07 US disclosed
WO-2001025238-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-04-12 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-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, FRK, JAK1 EDNRB 1648/4885EDNRA 922/4885CES1 2919/4885
US-20030166929-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, FRK, JAK1 EDNRB 1648/4885EDNRA 922/4885CES1 2919/4885

“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.