Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3173772

O=C(CNc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
KMT2A Q03164 6/20 0.55
MAPK1 P28482 3/20 0.55
MGLL Q99685 2/20 0.54
ROCK1 Q13464 2/20 0.54
MEN1 O00255 5/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 3/20 0.50
ALOX5 P09917 3/20 0.50
GAA P10253 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
PKM P14618 1/20 0.50
FZD7 O75084 1/20 0.49
PRKACA P17612 1/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48

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 SCHEMBL3170055 0.96 LMNA (0.64) LMNAKMT2AMAPK1MGLLROCK1
SCHEMBL8446308 0.93 KMT2A (0.62) LMNAKMT2AMAPK1MGLLROCK1
SCHEMBL8452345 0.90 LMNA (0.70) LMNAKMT2AMAPK1MGLLROCK1
Trifluoroacetic Acid SCHEMBL3174446 0.87 LMNA (0.57) LMNAKMT2AMAPK1ROCK1MEN1
Trifluoroacetic Acid SCHEMBL3169649 0.86 KMT2A (0.53) LMNAKMT2AMAPK1ROCK1MEN1
Trifluoroacetic Acid SCHEMBL3173310 0.86 ALDH1A1 (0.57) LMNAKMT2AMAPK1ROCK1MEN1
Trifluoroacetic Acid SCHEMBL3177298 0.84 LMNA (0.52) LMNAKMT2AMAPK1ROCK1MEN1
Trifluoroacetic Acid SCHEMBL3164230 0.82 KMT2A (0.49) LMNAKMT2AMAPK1ROCK1MEN1
Trifluoroacetic Acid SCHEMBL3179280 0.80 MMP2 (0.47) LMNAKMT2AMAPK1MEN1MAPT
Trifluoroacetic Acid SCHEMBL3171698 0.80 MMP2 (0.47) LMNAKMT2AMAPK1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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 (1 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 LMNA 2141/4885KMT2A 1573/4885MAPK1 2512/4885

“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.