Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3620650

CC(=CC(=O)N(C)C)c1ccc(-c2ccccc2F)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
WNT3A P56704 6/20 0.39
MLNR O43193 1/20 0.38
FFAR2 O15552 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ATR Q13535 1/20 0.34
LDHA P00338 1/20 0.34

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 SCHEMBL3620646 1.00 LTB4R (0.40) LTB4RLTB4R2WNT3AMLNRFFAR2
SCHEMBL13545684 0.93 LTB4R (0.42) LTB4RLTB4R2WNT3AMLNRFFAR2
SCHEMBL8164613 0.77 NPC1 (0.40) WNT3AMLNRFFAR2DHODHMEN1
SCHEMBL3603831 0.73 CYP11B1 (0.43) MLNRDHODHNPC1RAB9AGRIN2B
SCHEMBL3603828 0.73 CYP11B1 (0.43) MLNRDHODHNPC1RAB9AGRIN2B
SCHEMBL2070102 0.73 LDHA (0.62) FFAR2DHODHMEN1NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL3606486 0.70 APP (0.41) WNT3AMLNRDHODH
Trifluoroacetic Acid SCHEMBL3606489 0.70 APP (0.41) WNT3AMLNRDHODH
SCHEMBL29596848 0.68 MAPK1 (0.51) WNT3AFFAR2DHODHMEN1NPC1
SCHEMBL2072004 0.68 FFAR2 (0.43) WNT3AMLNRFFAR2DHODHMEN1

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-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 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 (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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 LTB4R 102/4885LTB4R2 181/4885WNT3A 2738/4885

“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.