Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3170107

O=C(O)C(F)(F)F.O=C(O)COc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PPARD Q03181 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL3170121 0.83 RAB9A (0.47) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL3178887 0.79 RAB9A (0.51) KMT2AMEN1MAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL3174446 0.78 LMNA (0.57) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL3179375 0.77 LMNA (0.59) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL3182275 0.76 ALDH1A1 (0.50) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL3176744 0.76 ALDH1A1 (0.50) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8470220 0.75 ALDH1A1 (0.49) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL3174785 0.75 LMNA (0.57) KMT2AMEN1MAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL3163768 0.74 LDHA (0.51) KMT2AMEN1NPC1SMN1; SMN2PPARD
SCHEMBL3169746 0.73 RAB9A (0.65) KMT2AMEN1MAPTRAB9ANPC1

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 KMT2A 1573/4885MEN1 3768/4885MAPT 4836/4885

“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.