Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1786045

NC(=O)c1ccccc1-c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.79
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
PDK2 Q15119 1/20 0.45
HNF4A P41235 1/20 0.44
HTT P42858 1/20 0.44
PARP1 P09874 1/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
TACR1 P25103 2/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43

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 SCHEMBL31255509 1.00 BCAT2 (0.79) BCAT2NPC1RAB9AMEN1KMT2A
SCHEMBL29427545 0.89 BCAT2 (1.00) BCAT2NPC1RAB9AMEN1KMT2A
SCHEMBL132986 0.89 BCAT2 (1.00) BCAT2NPC1RAB9AMEN1KMT2A
Methane SCHEMBL27520060 0.87 BCAT2 (0.96) BCAT2NPC1RAB9AMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28275782 0.87 BCAT2 (0.96) BCAT2NPC1RAB9AMEN1KMT2A
Urea SCHEMBL28572437 0.87 BCAT2 (0.96) BCAT2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL27487444 0.87 BCAT2 (0.96) BCAT2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL1785690 0.87 BCAT2 (0.96) BCAT2NPC1RAB9AMEN1KMT2A
SCHEMBL28355265 0.87 BCAT2 (0.96) BCAT2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL5180095 0.87 BCAT2 (0.96) BCAT2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
CN-101184758-B Novel compounds GLAXO GROUP LTD 2012-05-02 CN disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 EP disclosed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed
CN-1033584-C Benzo-fused lactams that promote release of growth hormone MERCK & CO INC (US) 1996-12-18 CN 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 BCAT2 2529/4885NPC1 3467/4885RAB9A 1186/4885
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 BCAT2 542/4885NPC1 2009/4885RAB9A 2307/4885

“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.