Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL840233

COCCN(C)c1ccc(C(C)N)cc1C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.36
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
DGAT1 O75907 6/20 0.35
AKR1C4 P17516 2/20 0.34
AKR1C1 Q04828 2/20 0.34
AKR1B10 O60218 1/20 0.34
BRAF P15056 1/20 0.34
MLYCD O95822 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ACACB O00763 1/20 0.33
DYRK1A Q13627 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL860193 0.92 C5AR1 (0.35) GPBAR1AKR1C3AKR1C2DGAT1BRAF
Trifluoroacetic Acid SCHEMBL14631859 0.80 DPP4 (0.40) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B10
Trifluoroacetic Acid SCHEMBL841644 0.79 HTT (0.43) AKR1C3AKR1C2
SCHEMBL840956 0.74 BRAF (0.42) GPBAR1AKR1C3AKR1C2BRAFMLYCD
SCHEMBL13812978 0.73 GLA (0.43) GPBAR1DGAT1BRAFSLC6A2SLC6A4
Acetic Acid SCHEMBL841156 0.71 F7 (0.47)
SCHEMBL860763 0.71 F7 (0.49)
SCHEMBL3641864 0.70 PDE2A (0.35) AKR1C3AKR1C2AKR1C4AKR1C1AKR1B10
SCHEMBL860439 0.69 AR (0.40)
SCHEMBL3058229 0.69 ALDH1A1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 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 (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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI GPBAR1 3856/4885AKR1C3 628/4885AKR1C2 451/4885

“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.