Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6501357

Cc1cccc(C)c1Nc1nc2ccccc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
LMNA P02545 1/20 0.50
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PKM P14618 2/20 0.48
MAPT P10636 1/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
OPRK1 P41145 1/20 0.47
KLF5 Q13887 1/20 0.47
CYP3A4 P08684 1/20 0.47
MTOR P42345 2/20 0.46
DDX3X O00571 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR1 P34998 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL5695193 0.87 NPC1 (0.60) AKR1C3LMNANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5242535 0.85 NPC1 (0.59) AKR1C3LMNANPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6492688 0.85 AKR1C3 (0.54) AKR1C3LMNANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5741853 0.78 NPC1 (0.51) AKR1C3LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5695242 0.78 NPC1 (0.54) LMNANPC1RAB9ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL6489410 0.78 GAA (0.52) AKR1C3LMNANPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6501519 0.78 GAA (0.52) AKR1C3LMNANPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6501025 0.78 GAA (0.52) AKR1C3LMNANPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6500231 0.77 LCK (0.50) MAOBADORA2A
Trifluoroacetic Acid SCHEMBL31621378 0.77 SMN1; SMN2 (0.52) LMNANPC1RAB9ASMN1; SMN2PKM

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-6958357-B2 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-10-25 US disclosed
US-6686384-B2 2-ANILINOPHENYL-SUBSTITUTED; INHIBITION OF THE NA+/H+ EXCHANGER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-03 US disclosed
US-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-10-09 US disclosed
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-19 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-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 AKR1C3 1174/4885LMNA 1814/4885NPC1 220/4885
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 AKR1C3 1174/4885LMNA 1814/4885NPC1 220/4885

“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.