Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1482091

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.69
ERBB2 P04626 6/20 0.67
KDR P35968 3/20 0.64
EPHB4 P54760 2/20 0.64
AURKA O14965 1/20 0.64
INSR P06213 1/20 0.64
FBP1 P09467 1/20 0.64
PDGFRB P09619 1/20 0.64
FLT4 P35916 1/20 0.64
CLK1 P49759 1/20 0.64
TEK Q02763 1/20 0.64
AURKB Q96GD4 1/20 0.64
EPHA2 P29317 1/20 0.61
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58

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 SCHEMBL1482093 1.00 EGFR (0.69) EGFRERBB2KDREPHB4AURKA
SCHEMBL29623406 0.93 EGFR (0.79) EGFRERBB2KDREPHB4AURKA
SCHEMBL121215 0.93 EGFR (0.79) EGFRERBB2KDREPHB4AURKA
SCHEMBL1446479 0.93 EGFR (0.79) EGFRERBB2KDREPHB4AURKA
SCHEMBL209526 0.93 EGFR (0.79) EGFRERBB2KDREPHB4AURKA
Trifluoroacetic Acid SCHEMBL1482241 0.91 EGFR (0.69) EGFRERBB2KDREPHB4AURKA
SCHEMBL14489907 0.88 EGFR (0.69) EGFRERBB2KDREPHB4AURKA
SCHEMBL14489908 0.88 EGFR (0.69) EGFRERBB2KDREPHB4AURKA
SCHEMBL4276159 0.86 EGFR (0.67) EGFRERBB2KDREPHB4AURKA
SCHEMBL375219 0.86 EGFR (0.67) EGFRERBB2KDREPHB4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 US disclosed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US disclosed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US 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-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME CYP11B2, CYP11B1, PKD1 EGFR 1254/4885ERBB2 1199/4885KDR 4676/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD EGFR 1233/4885ERBB2 1107/4885KDR 4656/4885

“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.