Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3961759

O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CCNCC1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.61
PKM P14618 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RAD52 P43351 1/20 0.56
UBE2N P61088 1/20 0.56
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
HPGD P15428 1/20 0.52
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
KCNH2 Q12809 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47

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 SCHEMBL6199874 0.93 L3MBTL1 (0.62) SIGMAR1PKML3MBTL1RAD52UBE2N
SCHEMBL5273 0.89 SIGMAR1 (0.70) SIGMAR1MKNK1MKNK2HPGDCYP2C9
Trifluoroacetic Acid SCHEMBL27832857 0.88 SIGMAR1 (0.81) SIGMAR1PKML3MBTL1RAD52UBE2N
Hydrochloric Acid SCHEMBL1597605 0.87 SIGMAR1 (0.68) SIGMAR1MKNK1MKNK2HPGDCYP2C9
Trifluoroacetic Acid SCHEMBL15565817 0.87 HPGD (0.63) SIGMAR1PKML3MBTL1RAD52UBE2N
Trifluoroacetic Acid SCHEMBL16150177 0.84 SIGMAR1 (0.59) SIGMAR1PKML3MBTL1RAD52UBE2N
SCHEMBL7425708 0.81 MKNK1 (0.72) SIGMAR1L3MBTL1MKNK1MKNK2HPGD
Pyridine SCHEMBL28123146 0.81 SIGMAR1 (0.81) SIGMAR1MKNK1MKNK2HPGDCYP2C9
Trifluoroacetic Acid SCHEMBL7719722 0.81 PDK1 (0.57) SIGMAR1PKML3MBTL1RAD52UBE2N
Trifluoroacetic Acid SCHEMBL31098156 0.80 SIGMAR1 (0.55) SIGMAR1PKML3MBTL1RAD52UBE2N

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
EP-0927192-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-07-07 EP disclosed
WO-1998011128-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1998-03-19 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS SIGMAR1 377/4885PKM 821/4885L3MBTL1 2352/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SIGMAR1 429/4885PKM 640/4885L3MBTL1 3323/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS SIGMAR1 421/4885PKM 625/4885L3MBTL1 3426/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SIGMAR1 429/4885PKM 640/4885L3MBTL1 3323/4885

“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.