Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL117226

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.41
▸ NPY1R P25929 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ S1PR1 P21453 4/20 0.34
▸ S1PR3 Q99500 4/20 0.34
▸ S1PR2 O95136 3/20 0.34
▸ S1PR5 Q9H228 3/20 0.34
▸ PDF Q9HBH1 1/20 0.34
▸ TGM2 P21980 2/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ NPY2R P49146 3/20 0.33
▸ NPY5R Q15761 3/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ FOLH1 Q04609 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
SCHEMBL27810936 0.92 C3AR1 (0.37) NPY4RNPY1RMEN1GAAKMT2A
Trifluoroacetic Acid SCHEMBL29816943 0.83 NPY4R (0.43) NPY4RNPY1RC3AR1FOLH1
Trifluoroacetic Acid SCHEMBL117153 0.81 NPY4R (0.37) NPY4RNPY1RS1PR1S1PR3S1PR2
SCHEMBL27917943 0.80 MEN1 (0.43) NPY4RNPY1RMEN1GAAKMT2A
SCHEMBL27917941 0.80 MEN1 (0.43) NPY4RNPY1RMEN1GAAKMT2A
SCHEMBL14831956 0.79 FOLH1 (0.38) NPY4RNPY1RMEN1GAAKMT2A
SCHEMBL12292041 0.79 C3AR1 (0.41) NPY4RNPY1RMEN1GAAKMT2A
Trifluoroacetic Acid SCHEMBL7438898 0.79 NPY4R (0.45) NPY4RNPY1RC3AR1NPY2RNPY5R
Trifluoroacetic Acid SCHEMBL7445678 0.79 NPY4R (0.49) NPY4RNPY1RC3AR1NPY2RNPY5R
Trifluoroacetic Acid SCHEMBL7442422 0.78 NPY4R (0.42) NPY4RNPY1RMEN1GAAKMT2A

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
US-9387185-B2 N-ω-hydroxy-L-arginine derivatives for the treatment of diseases CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2016-07-12 — — US disclosed
US-20120123111-A1 Nª -Hydroxy-L-Arginine Derivatives for the Treatment of Diseases CHRISTIAN-ALBRECHTS-UNIVERSITAET ZU KIEL (DE) 2012-05-17 — — US disclosed
EP-2424515-A1 N OMEGA-HYDROXY-L-ARGININE DERIVATIVES FOR THE TREATMENT OF DISEASES Christian-Albrechts-Universität zu Kiel (DE) 2012-03-07 — — 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-20120123111-A1 Nª -Hydroxy-L-Arginine Derivatives for the Treatment of Diseases ARG2, ARG1, NOS2 NPY4R 1403/4885NPY1R 1074/4885MEN1 2465/4885

“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.

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