Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2321048

COC[C@@H](N)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.42
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
PTPN1 P18031 1/20 0.41
GRB2 P62993 1/20 0.41
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR2 O95136 4/20 0.40
SLC7A5 Q01650 1/20 0.39
DDAH1 O94760 2/20 0.38
S1PR5 Q9H228 3/20 0.38
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
SLC1A1 P43005 3/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35

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
Hydrochloric Acid SCHEMBL10988485 0.87
SCHEMBL993593 0.87
Hydrochloric Acid SCHEMBL1485343 0.87
Hydrochloric Acid SCHEMBL856592 0.87
SCHEMBL127189 0.87
SCHEMBL127190 0.87
Phosphoric Acid SCHEMBL4422997 0.79 NOS3 (0.44) NOS2NOS3NOS1SLC7A5DDAH1
Trifluoroacetic Acid SCHEMBL1369861 0.78 S1PR1 (0.36) NOS2NOS1PTPN1GRB2S1PR1
Trifluoroacetic Acid SCHEMBL15821109 0.78 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR5
SCHEMBL9179525 0.76 NOS3 (0.50) NOS2NOS3NOS1SLC7A5DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133101-B2 Processes for the preparation of (R)-2-acetamido-N-benzyl-3-methoxypropionamide and intermediates thereof SIGNA S.A. DE C.V. (MX) 2015-09-15 US disclosed
US-20150025274-A1 PROCESSES FOR THE PREPARATION OF (R)-2-ACETAMIDO-N-BENZYL-3-METHOXYPROPIONAMIDE AND INTERMEDIATES THEREOF SIGNA S.A. DE C.V. (MX) 2015-01-22 US disclosed
US-8759582-B2 Process for the preparation of lacosamide NATCO PHARMA LIMITED (IN) 2014-06-24 US disclosed
US-20130035508-A1 PROCESS FOR THE PREPARATION OF LACOSAMIDE NATCO PHARMA LIMITED (IN) 2013-02-07 US disclosed
EP-2534128-A1 A PROCESS FOR THE PREPARATION OF LACOSAMIDE Natco Pharma Limited (IN) 2012-12-19 EP disclosed
WO-2011095995-A1 A PROCESS FOR THE PREPARATION OF LACOSAMIDE NATCO PHARMA LIMITED (IN) 2011-08-11 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 (2 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-20130035508-A1 PROCESS FOR THE PREPARATION OF LACOSAMIDE CA3, CACNA1A, CA2 NOS2 3667/4885NOS3 3755/4885NOS1 4520/4885
US-20150025274-A1 PROCESSES FOR THE PREPARATION OF (R)-2-ACETAMIDO-N-BENZYL-3-METHOXYPROPIONAMIDE AND INTERMEDIATES THEREOF NAAA, CYP1A2, REN NOS2 1444/4885NOS3 2071/4885NOS1 2398/4885

“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.