Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4386152

Nc1ccc2cc(CN3CCNCC3=O)ccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
MCHR1 Q99705 2/20 0.38
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
BACE1 P56817 3/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
TEC P42680 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
KLKB1 P03952 1/20 0.33
GRM2 Q14416 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL1653036 0.90 TEC (0.39) SCN9ABACE1F10PLAUTEC
Trifluoroacetic Acid SCHEMBL6792862 0.83 MMP13 (0.45) MCHR1
SCHEMBL7359561 0.79 F10 (0.38) SCN9AF10KCNH2
Trifluoroacetic Acid SCHEMBL4142583 0.77 ALDH1A1 (0.51)
Trifluoroacetic Acid SCHEMBL28701154 0.76 L3MBTL1 (0.46)
Trifluoroacetic Acid SCHEMBL27526745 0.74 ITGB3 (0.42) F10KLKB1
Trifluoroacetic Acid SCHEMBL4061499 0.74 ITGB3 (0.42) F10KLKB1
Trifluoroacetic Acid SCHEMBL4397854 0.73 F10 (0.46) F10
Trifluoroacetic Acid SCHEMBL7214104 0.72 F10 (0.44) NOS1NOS3F10PLAU
SCHEMBL7996148 0.71 SLC6A4 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
EP-1051176-B1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMA INC (US) 2006-11-22 EP disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 SCN9A 916/4885MCHR1 4158/4885NOS1 3536/4885

“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.