Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1761497

CCC[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4ncc(C(F)(F)F)cc4s3)c(F)c2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CSGALNACT1 Q8TDX6 1/20 0.36
KIFC1 Q9BW19 4/20 0.36
DHFR P00374 1/20 0.36
PIK3CD O00329 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
KIF11 P52732 1/20 0.33
BRAF P15056 1/20 0.33
GPR132 Q9UNW8 2/20 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
SCHEMBL1761772 0.98 DGAT1 (0.38) DGAT1CSGALNACT1KIFC1DHFRPIK3CD
Trifluoroacetic Acid SCHEMBL1761325 0.94 DGAT1 (0.37) DGAT1CSGALNACT1KIFC1DHFRPIK3CD
SCHEMBL1761823 0.92 DGAT1 (0.39) DGAT1CSGALNACT1KIFC1DHFRPIK3CD
Trifluoroacetic Acid SCHEMBL1761322 0.91 MAPK14 (0.40) DGAT1CA1CA2CSGALNACT1KIFC1
Trifluoroacetic Acid SCHEMBL1761834 0.90 DGAT1 (0.44) DGAT1CA12CA1CA2CA9
SCHEMBL1761805 0.89 MAPK14 (0.41) DGAT1CA1CA2CSGALNACT1
SCHEMBL1761764 0.88 DGAT1 (0.46) DGAT1CSGALNACT1KIFC1DHFRPIK3CD
Trifluoroacetic Acid SCHEMBL1761480 0.88 DGAT1 (0.42) DGAT1CA1CA2CSGALNACT1KIF11
Trifluoroacetic Acid SCHEMBL1761478 0.88 DGAT1 (0.42) DGAT1CA1CA2CSGALNACT1KIF11
Trifluoroacetic Acid SCHEMBL1761368 0.87 DGAT1 (0.39) DGAT1CA2CSGALNACT1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US disclosed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 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 (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-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity FABP4, GPR119, PGC DGAT1 486/4885CA12 4560/4885CA1 4736/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC DGAT1 486/4885CA12 4560/4885CA1 4736/4885

“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.